SCHEMBL3169552

SCHEMBL3169552

CC1(C)CCc2ccccc2S1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.44
HTR2A P28223 4/20 0.44
HTR2C P28335 3/20 0.44
HTR2B P41595 3/20 0.44
TMEM97 Q5BJF2 1/20 0.44
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
KDM1A O60341 2/20 0.33
MAOB P27338 1/20 0.32
TSHR P16473 1/20 0.32
TP53 P04637 1/20 0.32
NOTUM Q6P988 1/20 0.32
LMNA P02545 1/20 0.31
CHRM2 P08172 1/20 0.30
HTR1A P08908 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30

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
Hydrochloric Acid SCHEMBL27492472 0.98 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2BTMEM97
SCHEMBL18828548 0.78 ALDH1A1 (0.52) SIGMAR1HTR2AHTR2CHTR2BTMEM97
SCHEMBL14182622 0.77 SIGMAR1 (0.43) SIGMAR1HTR2AHTR2CHTR2BTMEM97
SCHEMBL8109768 0.73 KDM1A (0.40) KDM1AADRA2A
SCHEMBL7678355 0.72 SIGMAR1 (0.42) SIGMAR1HTR2AHTR2CHTR2BTMEM97
SCHEMBL31260304 0.72 ADRA2A (0.44) SIGMAR1HTR2CHTR2BALDH1A1KDM1A
SCHEMBL9628758 0.71 ALDH1A1 (0.53) HTR2CALDH1A1HPGDALOX12MAOB
SCHEMBL20095222 0.70 ALDH1A1 (0.43) HTR2CALDH1A1HPGDALOX12LMNA
SCHEMBL11395065 0.69 SIGMAR1 (0.47) SIGMAR1HTR2AHTR2CHTR2BTMEM97
SCHEMBL9418958 0.67 TSHR (0.48) SIGMAR1HTR2AHTR2CHTR2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115043807-B Monofluorinated 4H-pyran compounds and methods of synthesizing the same 山西天宏达安医药科技有限公司 2024-06-28 CN claimed
CN-115353464-B Di-alkene compound containing trifluoromethyl and cyano and synthetic method thereof 太原理工大学 2023-10-27 CN claimed
CN-115353464-A Biene compound containing trifluoromethyl and cyano and synthetic method thereof 太原理工大学 2022-11-18 CN claimed
CN-115043807-A Mono-fluorinated 4H-pyran compound and synthetic method thereof 山西天宏达安医药科技有限公司 2022-09-13 CN claimed
CN-115043807-B Monofluorinated 4H-pyran compounds and methods of synthesizing the same 山西天宏达安医药科技有限公司 2024-06-28 CN disclosed
EP-3416956-B1 METHYLAMINE DERIVATIVES AS LYSYL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL (GB) 2024-04-10 EP disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
CN-115353464-B Di-alkene compound containing trifluoromethyl and cyano and synthetic method thereof 太原理工大学 2023-10-27 CN disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2023-03-21 US disclosed
US-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2022-11-24 US disclosed
EP-0678086-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-10-25 EP disclosed
EP-0637297-A4 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS. LIGAND PHARM INC (US) 1995-09-20 EP disclosed
WO-1995004036-A1 COMPOUNDS HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS, AND MEANS FOR MODULATION OF PROCESSES MEDIATED BY RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1995-02-09 WO disclosed
EP-0637297-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS, INC. (US) 1995-02-08 EP disclosed
WO-1994015902-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 WO disclosed
WO-1994015901-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INC. (US) 1994-07-21 WO disclosed
WO-1993021146-A1 COMPOUNDS HAVING SELECTIVITY FOR RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 1993-10-28 WO disclosed
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 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 (2 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-20220372028-A1 Methylamine Derivatives as Lysysl Oxidase Inhibitors for the Treatment of Cancer LOXL1, LOXL3, LOXL2 SIGMAR1 1128/4885HTR2A 2478/4885HTR2C 2253/4885
US-11608330-B2 Methylamine derivatives as lysysl oxidase inhibitors for the treatment of cancer LOXL1, LOXL3, LOXL2 SIGMAR1 1128/4885HTR2A 2478/4885HTR2C 2253/4885

“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.