SCHEMBL317934

SCHEMBL317934

Cc1ccc(OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.50
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.42
TEAD4 Q15561 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
RELA Q04206 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KIF11 P52732 1/20 0.38
DRD2 P14416 1/20 0.35

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
SCHEMBL18210775 0.93 TEAD4 (0.54) ACHETDP1TSHRCYP3A4TEAD4
SCHEMBL14465631 0.93 ACHE (0.44) ACHETDP1TSHRCYP3A4TEAD4
SCHEMBL18715597 0.89 TSHR (0.46) ACHETDP1TSHRCYP3A4TEAD4
SCHEMBL26746 0.88 SLC6A2 (0.44) ACHETSHRCYP3A4ALDH1A1MAPT
SCHEMBL25156564 0.87 TEAD4 (0.48) ACHETDP1TEAD4ALDH1A1POLB
SCHEMBL6367283 0.87 ACHE (0.39) ACHETDP1TSHRCYP3A4TEAD4
SCHEMBL22688263 0.87 MLYCD (0.43) ACHETDP1TSHRCYP3A4TEAD4
SCHEMBL21540971 0.83 GAA (0.61) ACHETDP1ALDH1A1POLBMAPT
SCHEMBL17302417 0.83 LMNA (0.61) ACHETDP1TSHRCYP3A4ALDH1A1
SCHEMBL8521425 0.83 RELA (0.42) ACHETDP1TSHRCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116670108-A Ether compounds as volatiles for treating amino acid based substrates such as skin and hair 迈图高新材料有限责任公司 2023-08-29 CN claimed
CN-103420810-A Preparation method for polymerization-type asymmetric hindered phenol anti-oxidant resins CHINA PETROLEUM & CHEMICAL 2013-12-04 CN claimed
EP-2585069-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN Janssen Pharmaceutica, N.V. (BE) 2013-05-01 EP claimed
EP-1973886-B1 PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2013-02-27 EP claimed
US-20120157370-A1 WASHING PERFORMANCE USING RADICAL TRAPS HENKEL AG & CO. KGAA (DE) 2012-06-21 US claimed
WO-2012006004-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA NV (BE) 2012-01-12 WO claimed
US-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN JANSSEN PHARMACEUTICA, NV (BE) 2011-12-29 US claimed
EP-2385042-A1 Prokineticin 1 receptor antagonists Janssen Pharmaceutica N.V. (BE) 2011-11-09 EP claimed
US-8039028-B2 Use of an extract of the orchid Vanda coerulea as a skin hydrating agent LVMH REACHERCHE (FR) 2011-10-18 US claimed
US-7902358-B2 Gastrointestinal disorders; inflammatory bowel disorders; gastroesophageal reflux, constipation; diarrhea JANSSEN PHARMACEUTICA NV (BE) 2011-03-08 US claimed
US-7611644-B2 Core-shell structure metal nanoparticles and its manufacturing method SAMSUNG ELECTRO-MECHANICS CO., LTD. (KR) 2009-11-03 US claimed
US-20090171046-A1 PROCESS FOR PRODUCING POLYDIENES BRIDGESTONE CORPORATION (JP) 2009-07-02 US claimed
EP-2075267-A2 Process for producing polydienes Bridgestone Corporation (JP) 2009-07-01 EP claimed
US-20080287445-A1 Prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-11-20 US claimed
US-20080269225-A1 Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-30 US claimed
US-20070212562-A1 Core-shell structure metal nanoparticles and its manufacturing method SAMSUNG ELECTRO-MECANICS CO., LTD. (KR) 2007-09-13 US claimed
CN-1656178-A Oil-soluble pigment compositions PHARES PHARM RES NV (NL) 2005-08-17 CN claimed
WO-1999029640-A2 COMPOSITIONS AND METHODS FOR MODULATING THE ACTIVITY OF FIBROBLAST GROWTH FACTOR EISAI CO., LTD. (JP) 1999-06-17 WO claimed
EP-0025883-B1 ELECTROCHEMICAL PROCESS FOR THE PREPARATION OF 4-TERT.-BUTOXY-BENZALDEHYDE-DIALKYLACETALS, THEIR USE AND 4-TERT.-BUTOXY-BENZALDEHYDE-DIMETHYLACETAL BASF Aktiengesellschaft (DE) 1983-01-12 EP claimed
EP-0025883-A1 Electrochemical process for the preparation of 4-tert.-butoxy-benzaldehyde-dialkylacetals, their use and 4-tert.-butoxy-benzaldehyde-dimethylacetal BASF Aktiengesellschaft (DE) 1981-04-01 EP 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-20110319400-A1 PROKINETICIN 1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PAIN PROKR1, OPRL1, PROKR2 ACHE 502/4885TDP1 3266/4885TSHR 1432/4885
US-20080269225-A1 Prokineticin 1 receptor antagonists PROKR1, PROKR2, GIPR ACHE 4205/4885TDP1 4130/4885TSHR 228/4885
US-20120157370-A1 WASHING PERFORMANCE USING RADICAL TRAPS MPO, DNASE1, PLD4 ACHE 713/4885TDP1 201/4885TSHR 3393/4885
US-20080287445-A1 Prokineticin 2 receptor antagonists PROKR2, PROKR1, GIPR ACHE 3869/4885TDP1 4548/4885TSHR 185/4885

“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.