SCHEMBL5050883

SCHEMBL5050883

Oc1cccc(-c2ccccc2-c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 10/20 0.58
HSD17B2 P37059 9/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 2/20 0.58
ALOX5 P09917 1/20 0.58
ABL1 P00519 1/20 0.56
ABCB1 P08183 1/20 0.56
BCR P11274 1/20 0.56
BACE1 P56817 1/20 0.54
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 2/20 0.52
HPGD P15428 1/20 0.52
BCL2L1 Q07817 1/20 0.52
ESR2 Q92731 2/20 0.52
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
LMNA P02545 1/20 0.50
CA5A P35218 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50

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
SCHEMBL4651426 0.98 HSD17B1 (0.56) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5
SCHEMBL4779452 0.95 HSD17B1 (0.64) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5
SCHEMBL3680161 0.93 HSD17B1 (0.61) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5
SCHEMBL13612222 0.91 HSD17B1 (0.54) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5
SCHEMBL28235602 0.91 HSD17B1 (0.74) HSD17B1HSD17B2CYP3A4CYP2C9ABL1
SCHEMBL17051267 0.91 HSD17B1 (0.58) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5
SCHEMBL9396344 0.90 ALOX5 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5
SCHEMBL11601339 0.90 ALOX5 (0.59) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5
SCHEMBL15419773 0.89 HSD17B1 (0.56) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5
SCHEMBL8450704 0.89 ALOX5 (0.63) HSD17B1HSD17B2CYP3A4CYP2C9ALOX5

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1164227-A Dibenzimidazole derivatives HOFFMANN LA ROCHE (CH) 1997-11-05 CN claimed
CN-109943349-B Liquid-crystalline medium with homeotropic alignment 默克专利股份有限公司 2024-07-05 CN disclosed
CN-117050102-A Fluorene-containing aromatic amine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-11-14 CN disclosed
CN-109825312-B Liquid-crystalline medium with homeotropic alignment 默克专利股份有限公司 2022-07-29 CN disclosed
US-20080075950-A1 Electron-Conjugated Organic Silane Compound, Functional Organic Thin Film And Production Method Thereof SHARP KABUSHIKI KAISHA (JP) 2008-03-27 US disclosed
CN-1993371-A Organosilane compounds of pi-electron conjugated system, functional organic thin films, and processes for production of both SHARP KK (JP) 2007-07-04 CN disclosed
EP-1408986-A4 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2006-01-11 EP disclosed
EP-1408986-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2004-04-21 EP disclosed
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 WO disclosed
CN-1164227-A Dibenzimidazole derivatives HOFFMANN LA ROCHE (CH) 1997-11-05 CN 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 (1 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-20080075950-A1 Electron-Conjugated Organic Silane Compound, Functional Organic Thin Film And Production Method Thereof AOX1, QSOX1, AOC3 HSD17B1 221/4885HSD17B2 297/4885CYP3A4 373/4885

“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.