SCHEMBL731682

SCHEMBL731682

Fc1cccc(C2CCC3(CC2)OCCO3)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RCE1 Q9Y256 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
SCD5 Q86SK9 1/20 0.38
TACR1 P25103 1/20 0.37
TSHR P16473 1/20 0.37
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
CYP3A4 P08684 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7028648 0.91 NPC1 (0.36) ALDH1A1HPGDKDM4ELMNAGAA
SCHEMBL7032739 0.91 NPC1 (0.36) ALDH1A1HPGDKDM4ELMNAGAA
SCHEMBL2874844 0.84 TAAR1 (0.38) ALDH1A1TAAR1SCD5KDM1ARCOR1
SCHEMBL13920734 0.83 NPC1 (0.34) ALDH1A1NPC1RAB9AIKBKETBK1
SCHEMBL20010986 0.81 SLC6A2 (0.44) TAAR1TSHRKDM1ARCOR1HTR2A
SCHEMBL15945569 0.81 HTR2C (0.54) ALDH1A1HPGDKDM4ELMNAGAA
SCHEMBL22816111 0.80 HTR2C (0.57) TACR1KDM1ARCOR1HTR2AHTR2C
SCHEMBL744072 0.80 RAB9A (0.37) ALDH1A1L3MBTL1TACR1KDM1ANPC1
SCHEMBL14336757 0.79 SLC18A3 (0.45) ALDH1A1GAAL3MBTL1TACR1IKBKE
SCHEMBL8972310 0.79 TRPV3 (0.39) ALDH1A1MAPTSCD5TSHRKDM1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026047575-A1 HYDROQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2026-03-05 WO disclosed
EP-3924058-B1 5-ALKYL PYRROLIDINE OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2026-01-07 EP disclosed
EP-4673431-A1 HYDROQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER Novartis AG (CH) 2026-01-07 EP disclosed
US-20260001843-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2026-01-01 US disclosed
US-12312332-B2 Heteroaryl pyrrolidine and piperidine orexin receptor agonists MERCK SHARP & DOHME LLC (US) 2025-05-27 US disclosed
US-12281073-B2 Substituted piperidine compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-04-22 US disclosed
US-12129246-B1 Hydroquinazoline derivatives for the treatment of a disease or disorder NOVARTIS AG (CH) 2024-10-29 US disclosed
US-20240336598-A1 HYDROQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2024-10-10 US disclosed
WO-2024180499-A1 HYDROQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER NOVARTIS AG (CH) 2024-09-06 WO disclosed
EP-3984994-B1 SUBSTITUTED PIPERIDINE COMPOUND AS OREXIN TYPE 2 AGONIST FOR THE TREATMENT OF NARCOLEPSY TAKEDA PHARMACEUTICALS CO (JP) 2024-07-03 EP disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
EP-2284148-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-02-16 EP disclosed
EP-2279990-A1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-02-02 EP disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-09 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 US disclosed
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-12-10 US disclosed
US-6057006-A COMPARATIVELY HIGH CLEARING POINT AND LOW POSITIVE OR NEGATIVE DIELECTRIC ANISOTROPY SUITABLE AS COMPONENTS OF LIQUID-CRYSTALLINE MEDIA, IN PARTICULAR FOR TFT AND STN DISPLAYS. MERCK PATENT GESELLSCHAFT (DE) 2000-05-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12129246-B1 Hydroquinazoline derivatives for the treatment of a disease or disorder RECQL, NRAS, RAB1A ALDH1A1 810/4885HPGD 658/4885KDM4E 4200/4885
US-20100309402-A1 FOUR- OR FIVE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, HCN3, FZD7 ALDH1A1 3844/4885HPGD 4487/4885KDM4E 1068/4885
US-12281073-B2 Substituted piperidine compound and use thereof HCRTR2, HCRTR1, NTSR2 ALDH1A1 1508/4885HPGD 2153/4885KDM4E 810/4885
US-20260001843-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, NPBWR1 ALDH1A1 2868/4885HPGD 3538/4885KDM4E 1337/4885
US-20240336598-A1 HYDROQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF A DISEASE OR DISORDER RECQL, NRAS, RAB1A ALDH1A1 810/4885HPGD 658/4885KDM4E 4200/4885
US-12312332-B2 Heteroaryl pyrrolidine and piperidine orexin receptor agonists HCRTR2, HCRTR1, OXTR ALDH1A1 2188/4885HPGD 808/4885KDM4E 1752/4885
US-20090302273-A1 FIVE-RING LIQUID CRYSTAL COMPOUND HAVING CYCLOHEXANE RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ZYX, PYM1, CPNE4 ALDH1A1 3021/4885HPGD 3034/4885KDM4E 1658/4885
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ROCK1, ROCK2, LEF1 ALDH1A1 665/4885HPGD 4638/4885KDM4E 1970/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.