SCHEMBL1240639

SCHEMBL1240639

OCCC1CCCCCC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
SIGMAR1 Q99720 3/20 0.44
ESR2 Q92731 2/20 0.44
HPGD P15428 1/20 0.41
METAP1 P53582 1/20 0.40
EPHX1 P07099 1/20 0.39
CHRM5 P08912 2/20 0.36
ADRA2C P18825 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 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
SCHEMBL2532505 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1ESR2HPGDMETAP1
SCHEMBL3340061 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1ESR2HPGDMETAP1
Cyclohexane SCHEMBL12482977 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1ESR2HPGDMETAP1
SCHEMBL16091690 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1ESR2HPGDMETAP1
SCHEMBL2018398 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1ESR2HPGDMETAP1
SCHEMBL25310751 1.00 CYP1A2 (0.48) CYP1A2SIGMAR1ESR2HPGDMETAP1
SCHEMBL21471 1.00
Ammonia Solution, Strong SCHEMBL4275522 0.97 CYP1A2 (0.46) CYP1A2SIGMAR1ESR2HPGDMETAP1
Water SCHEMBL10787450 0.97 CYP1A2 (0.46) CYP1A2SIGMAR1ESR2HPGDMETAP1
SCHEMBL80485 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000218-B2 Process for preparing secondary amines in the liquid phase BASF SE (DE) 2015-04-07 US claimed
EP-2648675-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS International Flora Technologies, Ltd. (US) 2013-10-16 EP claimed
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
WO-2012078658-A1 HAIR RELAXING AND STRAIGHTENING COMPOSITIONS INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 WO claimed
US-20120148517-A1 Hair Relaxing and Straightening Compositions INTERNATIONAL FLORA TECHNOLOGIES, LTD. (US) 2012-06-14 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-7884210-B2 {2-[3-(2-Cyclohex-1-enyl-ethyl)-3-(trans-4-methyl-cyclohexyl)-ureido]-thiazol-5-ylsulfanyl}-acetic acid; for treatment of type 2 diabetes NOVO NORDISK A/S (DK) 2011-02-08 US claimed
US-20090105482-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-04-23 US claimed
JP-2009501198-A 2009-01-15 JP claimed
EP-1904467-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 EP claimed
WO-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 WO claimed
US-12435060-B2 Acylamino bridged heterocyclic compound, and composition and application thereof BEIJING SCITECH-MQ PHARMACEUTICALS LIMITED (CN) 2025-10-07 US disclosed
EP-3782996-B1 NRF2 REGULATORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-04-10 EP disclosed
EP-3901147-B1 ACYLAMINO BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF BEIJING SCITECH MQ PHARMACEUTICALS LTD (CN) 2023-11-22 EP disclosed
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
WO-1996036626-A1 CYCLOHEXYL DIHYDROBENZOFURANES BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1996-11-21 WO disclosed
EP-0661271-A1 AZEPINE DERIVATIVE, PRODUCTION THEREOF, AND USE THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-07-05 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
US-4008243-A Antiviral thiazolinyl or thiazinyl benzimidazole esters ELI LILLY AND COMPANY (US) 1977-02-15 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 (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-20120148517-A1 Hair Relaxing and Straightening Compositions PDE6G, SHH, DNMT3L CYP1A2 2534/4885SIGMAR1 4870/4885ESR2 4120/4885
US-20090105482-A1 Urea Glucokinase Activators GCK, GCKR, HK2 CYP1A2 1207/4885SIGMAR1 4399/4885ESR2 1313/4885
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME ASNS, SI, NARS1 CYP1A2 2910/4885SIGMAR1 3788/4885ESR2 4283/4885
US-12435060-B2 Acylamino bridged heterocyclic compound, and composition and application thereof RIPK1, RIPK3, RIPK4 CYP1A2 4284/4885SIGMAR1 3569/4885ESR2 3976/4885

“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.