SCHEMBL6077803

SCHEMBL6077803

O=C(O)CC1C=CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
CHRNB3 Q05901 1/20 0.40
CHRNA6 Q15825 1/20 0.40
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX15 P16050 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A12 P48065 5/20 0.31
SLC6A11 P48066 5/20 0.31
SLC6A13 Q9NSD5 5/20 0.31
SLC6A1 P30531 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA1 P14867 1/20 0.31
GABRR1 P24046 1/20 0.31
GABRA4 P48169 1/20 0.31
TP53 P04637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9251598 1.00 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL459030 0.87
SCHEMBL971678 0.87
Hydrochloric Acid SCHEMBL10808909 0.85 CHRNB2 (0.49) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL11798752 0.85 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10337082 0.85 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9249984 0.82 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL19263973 0.82 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL1571722 0.82 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9249995 0.82 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103880597-A Co-production method and device of cyclohexanol and ethanol CHINA PETROLEUM & CHEMICAL 2014-06-25 CN claimed
JP-5163192-A None JP disclosed
JP-5103690-A None JP disclosed
US-8946468-B2 Process for producing ester compound having an internal unsaturated bond or cyclic olefin JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-02-03 US disclosed
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION CLEAVE BIOSCIENCES, INC. (US) 2014-08-21 US disclosed
CN-103880597-A Co-production method and device of cyclohexanol and ethanol CHINA PETROLEUM & CHEMICAL 2014-06-25 CN disclosed
WO-2014079850-A1 SUBSTITUTED HETEROCYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2014-05-30 WO disclosed
US-20120316360-A1 PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND OSAKA UNIVERSITY (JP) 2012-12-13 US disclosed
WO-2012158435-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION ZHOU HAN-JIE (US) 2012-11-22 WO disclosed
JP-H05163192-A OPTICAL RESOLUTION OF 2-CYCLOHEXENYL ACETIC ACID DAICEL CHEM IND LTD 1993-06-29 JP disclosed
JP-H05103690-A PRODUCTION OF OPTICALLY ACTIVE 2-CYCLOHEXENYLACETIC ACID AND ITS ESTER DAICEL CHEM IND LTD 1993-04-27 JP disclosed
EP-0415776-A2 Indolobenzoquinoline derivatives, their preparation and their use as anti-arrhythmic drugs Sankyo Company Limited (JP) 1991-03-06 EP disclosed
EP-0171217-B1 FUSED-RING HETEROCYCLIC COMPOUNDS A PROCESS FOR THEIR PRODUCTION AND THEIR PHARMACEUTICAL USE SANKYO COMPANY LIMITED (JP) 1989-05-03 EP disclosed
EP-0059158-B1 AZA PROSTACYCLINS, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1988-08-03 EP disclosed
US-4716162-A BRAIN FUNCTION SANKYO COMPANY, LIMITED (JP) 1987-12-29 US disclosed
EP-0171217-A2 Fused-ring heterocyclic compounds a process for their production and their pharmaceutical use SANKYO COMPANY LIMITED (JP) 1986-02-12 EP disclosed
US-4567195-A Azaprostacyclins, their preparation and pharmaceutical use SCHERING, AKTIENGESELLSCHAFT (DE) 1986-01-28 US disclosed
US-4446147-A Azaprostacyclins, their preparation and pharmaceutical use SCHERING AKTIENGESELLSCHAFT (DE) 1984-05-01 US disclosed
EP-0059158-A2 Aza prostacyclins, their preparation and therapeutic applications SCHERING AKTIENGESELLSCHAFT (DE) 1982-09-01 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 (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-20120316360-A1 PROCESS FOR PRODUCING ESTER COMPOUND HAVING a,ß-UNSATURATED BOND COASY, OXER1, ACSL1 CHRNB2 2440/4885CHRNA3 3414/4885CHRNA4 2678/4885
US-20140235548-A1 COMPOSITIONS AND METHODS FOR JAMM PROTEIN INHIBITION USP24, USP36, USP39 CHRNB2 3692/4885CHRNA3 3772/4885CHRNA4 3510/4885

“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.