SCHEMBL386760

SCHEMBL386760

Oc1ccccc1CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.46
ALDH1A1 P00352 3/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RARB P10826 1/20 0.43
OPRM1 P35372 2/20 0.43
OPRK1 P41145 2/20 0.43
MPO P05164 2/20 0.42
CYP2D6 P10635 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL18726535 1.00 HSPA5 (0.46) HSPA5ALDH1A1POLBRAB9ANPC1
SCHEMBL2051705 0.90 HSPA5 (0.52) HSPA5ALDH1A1POLBMPOCYP2D6
SCHEMBL11764381 0.85 FEN1 (0.42) ALDH1A1RAB9ANPC1HPGDNFKB1
SCHEMBL6884910 0.82 FEN1 (0.40) ALDH1A1RAB9ANPC1HPGDNFKB1
SCHEMBL20676749 0.82 FEN1 (0.44) ALDH1A1RAB9ARARBOPRM1OPRK1
SCHEMBL2389281 0.81 SLC6A4 (0.58) HSPA5ALDH1A1POLBMPOCYP2D6
SCHEMBL386637 0.81 RAB9A (0.49) HSPA5ALDH1A1RAB9ANPC1HPGD
SCHEMBL7866064 0.79 ALDH1A1 (0.49) HSPA5ALDH1A1POLBMPOCYP2D6
SCHEMBL6361813 0.79 GABRA1 (0.43) ALDH1A1RAB9ARARBOPRM1OPRK1
SCHEMBL28517671 0.79 EED (0.56) ALDH1A1POLBHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-60178838-A None JP disclosed
EP-2793577-B1 ANTIMICROBIAL METHOD AND COMPOSITION UNILEVER NV (NL) 2017-04-12 EP disclosed
EP-3153500-A1 METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-3153499-A1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI KASEI KABUSHIKI KAISHA (JP) 2017-04-12 EP disclosed
EP-2439191-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER, METHOD FOR PRODUCING ISOCYANATE USING N-SUBSTITUTED CARBAMIC ACID ESTER, AND COMPOSITION FOR TRANSFERRING AND STORING N-SUBSTITUTED CARBAMIC ACID ESTER CONTAINING N-SUBSTITUTED CARBAMIC ACID ESTER AND AROMATIC HYDROXY COMPOUND ASAHI CHEMICAL IND (JP) 2017-01-25 EP disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-9249090-B2 N-substituted carbamic acid ester production method and isocyanate production method using the N-substituted carbamic acid ester ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-02-02 US disclosed
US-9145357-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-9145358-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
US-9145358-B2 N-substituted carbamic acid ester production method, isocyanate production method using such N-substituted carbamic acid ester, and composition for transfer and storage of N-substituted carbamic acid ester comprising N-substituted carbamic acid ester and aromatic hydroxy compound ASAHI KASEI CHEMICALS CORPORATION (JP) 2015-09-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-20070105933-A1 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-05-10 US disclosed
US-7199150-B2 Amino alcohol compounds SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
US-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these SANKYO COMPANY, LIMITED (JP) 2005-02-24 US disclosed
EP-1471054-A1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE Sankyo Company, Limited (JP) 2004-10-27 EP disclosed
JP-S60178838-A PRODUCTION OF BETA-HYDROXYCARBONYL COMPOUND T HASEGAWA CO LTD 1985-09-12 JP disclosed
EP-0077550-B1 1.4-NAPHTHOQUINONES, METHODS FOR THEIR PREPARATION AND VETERINARY FORMULATIONS THEREOF THE WELLCOME FOUNDATION LIMITED (GB) 1985-07-10 EP disclosed
US-4485116-A NAPHTHOQUINONE COMPOUNDS BURROUGHS WELLCOME CO. 1984-11-27 US disclosed
EP-0077550-A2 1.4-Naphthoquinones, methods for their preparation and veterinary formulations thereof THE WELLCOME FOUNDATION LIMITED (GB) 1983-04-27 EP 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 (3 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-20050043386-A1 Amino alcohol derivatives or phosphonic acid derivatives and pharmaceutical compositions containing these PHOSPHO1, CD4, FCGRT HSPA5 2579/4885ALDH1A1 945/4885POLB 2164/4885
US-20070105933-A1 Amino alcohol compounds ADH1C, C9, SSB HSPA5 3446/4885ALDH1A1 582/4885POLB 2273/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 HSPA5 3182/4885ALDH1A1 1443/4885POLB 1738/4885

“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.