SCHEMBL325675

SCHEMBL325675

OCC[CH]c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAOB P27338 1/20 0.38
PAM P19021 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 2/20 0.36
HDAC3 O15379 1/20 0.36
TNKS O95271 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 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
SCHEMBL7364660 0.85 ALDH1A1 (0.40) ALDH1A1CYP2A6TDP1TSHRCYP2C9
SCHEMBL9170505 0.81 TBXAS1 (0.42) ALDH1A1CYP2A6TDP1TSHRMAOB
SCHEMBL8154332 0.78 ALDH1A1 (0.48) ALDH1A1CYP2A6TDP1TSHRMAOB
SCHEMBL398335 0.78
SCHEMBL4995492 0.75 HSD17B10 (0.48) CYP2A6MAOBLMNACYP1A2FBP1
SCHEMBL1301627 0.75 PAM (0.54) ALDH1A1CYP2C9MAOBPAMLMNA
SCHEMBL1515183 0.75 HSD11B1 (0.40) ALDH1A1TSHRRECQLMAPTFBP1
SCHEMBL6650732 0.75 JUN (0.40) ALDH1A1CYP2C9CYP3A4LMNAHDAC1
SCHEMBL1301624 0.75 PAM (0.54) ALDH1A1CYP2C9MAOBPAMLMNA
SCHEMBL4171733 0.75 PAM (0.54) ALDH1A1CYP2C9MAOBPAMLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107075124-B Alpha, omega-functionalized polyoxyalkylene-siloxane polymers and copolymers prepared therefrom 莫门蒂夫性能材料股份有限公司 2020-10-23 CN claimed
EP-3194472-B1 FUNCTIONALIZED POLYOXYALKYLENE-SILOXANE POLYMERS AND COPOLYMERS MADE THEREFROM MOMENTIVE PERFORMANCE MAT INC (US) 2018-07-11 EP claimed
CN-108218785-A A kind of secondary cell ionic liquid and synthetic method and application 中国科学院大连化学物理研究所 2018-06-29 CN claimed
US-9992997-B2 Composition comprising bromadiolone, rodenticide bait, and method for controlling target rodent pests LIPHATECH (FR) 2018-06-12 US claimed
CN-105797770-B (S) the thiourea modified Cr Anderson types heteropolyacid catalyst of 1 (phenylpropyl of 3 hydroxyl 1), preparation method and applications 上海应用技术学院 2018-03-30 CN claimed
CN-105665019-B (S) the thiourea modified Mn Anderson types heteropolyacid catalyst of 1 (phenylpropyl of 3 hydroxyl 1), preparation method and applications 上海应用技术学院 2018-03-02 CN claimed
EP-3194472-A1 FUNCTIONALIZED POLYOXYALKYLENE-SILOXANE POLYMERS AND COPOLYMERS MADE THEREFROM Momentive Performance Materials Inc. (US) 2017-07-26 EP claimed
US-20170118982-A1 COMPOSITION COMPRISING BROMADIOLONE, RODENTICIDE BAIT, AND METHOD FOR CONTROLLING TARGET RODENT PESTS VETAGRO SUP (FR) 2017-05-04 US claimed
CN-106513041-A (S)-1-(3-hydroxy-1-phenylpropyl)thiourea modified Al-Anderson type heteropolyacid catalyst, preparation method and application thereof 上海应用技术大学 2017-03-22 CN claimed
CN-106475141-A (S) the unilateral Fe Anderson type heteropolyacid catalyst modified of 1 (3 hydroxyl 1 phenylpropyl) thiourea, preparation method and applications 上海应用技术大学 2017-03-08 CN claimed
CN-1646460-A 2- (2, 6-dichlorophenyl) -diarylimidazoles HOFFMANN LA ROCHE (CH) 2005-07-27 CN claimed
WO-2005040153-A1 NOVEL TRIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 WO claimed
US-20050085473-A1 Novel triarylimidazoles HOFFMANN-LA ROCHE INC. 2005-04-21 US claimed
EP-1499577-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-26 EP claimed
US-6790852-B2 HETEROCYCLIC NITROGEN COMPOUNDS SUCH AS 2-(2,6-DICHLOROPHENYL) -4-(3-BROMOPHENYL)-5-(2-(3- HYDROXYPROPYLAMINO)PYRIMIDIN-4-YL) -N-H-IMIDAZOLE, USED AS TYROSINE KINASE INHIBITORS; ANTICARCINOGENIC OR ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2004-09-14 US claimed
CN-1494541-A heterocyclic inhibitors of ERK2 and uses thereof ��̩��˹ҩ��ɷ����޹�˾ 2004-05-05 CN claimed
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US claimed
WO-2003087026-A1 2-(2,6-DICHLOROPHENYL)-DIARYLIMIDAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-10-23 WO claimed
US-20020103111-A1 Inhibitors of MAdCAM-1-mediated interactions and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-08-01 US claimed
US-4374734-A WITH A POLYOL AND/OR QUATERNARY AMMONIUM COMPOUND CITIES SERVICE CO. (US) 1983-02-22 US claimed

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

For each of this compound's patents that has machine-readable text (4 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-20050085473-A1 Novel triarylimidazoles AURKAIP1, GLS2, GOT2 ALDH1A1 409/4885CYP2A6 752/4885TDP1 2193/4885
US-20020103111-A1 Inhibitors of MAdCAM-1-mediated interactions and methods of use therefor VCAM1, ICAM1, SELPLG ALDH1A1 1850/4885CYP2A6 4787/4885TDP1 3415/4885
US-20030199691-A1 2-(2,6-dichlorophenyl)-diarylimidazoles CYP2D6, CYP2F1, CYP1A2 ALDH1A1 115/4885CYP2A6 70/4885TDP1 2263/4885
US-20170118982-A1 COMPOSITION COMPRISING BROMADIOLONE, RODENTICIDE BAIT, AND METHOD FOR CONTROLLING TARGET RODENT PESTS HSD17B7, CYP17A1, HSD17B1 ALDH1A1 1697/4885CYP2A6 169/4885TDP1 3636/4885

“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.