SCHEMBL1509992

SCHEMBL1509992

CCCCCc1ccc(OBOc2ccc(CCCCC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
LMNA P02545 2/20 0.52
CYP3A4 P08684 2/20 0.52
KDM4E B2RXH2 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52
HIF1A Q16665 1/20 0.52
TST Q16762 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
SCHEMBL1021740 0.98 ALDH1A1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL5832861 0.98 ALDH1A1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL186428 0.98 ALDH1A1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL1020215 0.98 ALDH1A1 (0.55) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL769086 0.94 CA2 (0.47) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL3289628 0.85 THRB (0.47) ALDH1A1LMNATHRBKMT2ALPL
SCHEMBL15024796 0.83 ALDH1A1 (0.56) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL13564090 0.83 ALDH1A1 (0.56) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL19220749 0.83 ALDH1A1 (0.56) ALDH1A1ESR1ADRA2AADORA3TACR2
SCHEMBL475118 0.81 ALDH1A1 (0.57) ALDH1A1ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102478-B Preparation method of 1, 4-dicarbonyl thiosemicarbazide compound and anti-infection application 中国医学科学院药物研究所 2025-04-15 CN disclosed
CN-119639383-A Light-converting adhesive film composition 上海海优威新材料股份有限公司 2025-03-18 CN disclosed
CN-119569754-A Thiophene pyrrole fused benzothiadiazole dichroic dye and application thereof 西安工业大学 2025-03-07 CN disclosed
CN-118388973-A Benzotriazole dichroic dye and application thereof 西安近代化学研究所 2024-07-26 CN disclosed
CN-117285523-A Apigenin derivative and application thereof in resisting tumors 中南大学 2023-12-26 CN disclosed
CN-115160277-B Apigenin derivative and application thereof 中南大学 2023-11-07 CN disclosed
CN-116102478-A Preparation method of 1, 4-dicarbonyl thiosemicarbazide compound and anti-infection application 中国医学科学院药物研究所 2023-05-12 CN disclosed
EP-2931838-B1 LIQUID-CRYSTAL DISPLAYS AND LIQUID-CRYSTALLINE MEDIA HAVING HOMEOTROPIC ALIGNMENT MERCK PATENT GMBH (DE) 2017-08-16 EP disclosed
US-9726933-B2 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2017-08-08 US disclosed
US-20150301368-A1 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment MERCK PATENT GMBH (DE) 2015-10-22 US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed
EP-1565459-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-24 EP disclosed
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 WO disclosed
EP-0445257-B1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 1996-03-13 EP disclosed
US-5204477-A PYRIDINE DERIVATIVES IN LIQUID CRYSTALLINE MEDIUM USEFUL FOR ELECTROOPTICAL DISPLAY ELEMENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-04-20 US disclosed
EP-0445257-A1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM. MERCK PATENT GMBH (DE) 1991-09-11 EP disclosed
WO-1991004249-A1 PYRIDINE DERIVATIVES AND A LIQUID CRYSTAL MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1991-04-04 WO 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-20150301368-A1 Liquid-crystal displays and liquid-crystalline media having homeotropic alignment LASP1, VCL, NEFM ALDH1A1 4616/4885ESR1 4553/4885ADRA2A 2768/4885
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 ALDH1A1 1789/4885ESR1 3555/4885ADRA2A 4836/4885

“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.