SCHEMBL2763765

SCHEMBL2763765

CCOC(=O)c1cccc(C#CCCCC(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.49
ACACB O00763 1/20 0.48
NPC1 O15118 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
PTPN2 P17706 2/20 0.44
PTPN1 P18031 2/20 0.44
PTPN6 P29350 2/20 0.44
PTPN11 Q06124 2/20 0.44
MMP2 P08253 1/20 0.43
MMP12 P39900 1/20 0.43

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
SCHEMBL2763204 0.88 ACACB (0.47) ACACBNPC1CYP1A2CYP2C9HPGD
SCHEMBL16799587 0.87 ALDH1A1 (0.47) CYP1A2CYP2C9HPGDCYP2C19RAB9A
SCHEMBL7187490 0.81 ACACB (0.54) ACACBNPC1CYP1A2CYP2C9HPGD
SCHEMBL4319225 0.81 ACACB (0.62) ACACBNPC1CYP1A2CYP2C9HPGD
SCHEMBL7182966 0.80 ACACB (0.53) ACACBNPC1CYP1A2CYP2C9HPGD
SCHEMBL10411917 0.80 ACACB (0.57) ACACBNPC1CYP1A2CYP2C9HPGD
SCHEMBL16799896 0.77 ACACB (0.40) ACACBNPC1CYP1A2CYP2C9HPGD
SCHEMBL16799894 0.77 ACACB (0.40) ACACBNPC1CYP1A2CYP2C9HPGD
SCHEMBL16799666 0.77 ALDH1A1 (0.43) ACACBCYP1A2CYP2C9HPGDCYP2C19
SCHEMBL13679738 0.76 ACACB (0.36) TRPM8ACACBNPC1CYP1A2CYP2C9

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
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2018-05-03 US disclosed
WO-2016128771-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION CANBEX THERAPEUTICS LIMITED (GB) 2016-08-18 WO disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-20160107984-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2016-04-21 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-9120723-B2 Modulator CANBEX THERAPEUTICS LIMITED (GB) 2015-09-01 US disclosed
US-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 US disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
EP-2177503-A1 MODULATORS OF CANNABINOID RECEPTORS UCL Business PLC (GB) 2010-04-21 EP disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
US-7696382-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2010-04-13 US disclosed
EP-1745011-B1 MODULATORS OF CANNABINOID RECEPTORS UCL BUSINESS PLC (GB) 2009-09-30 EP disclosed
EP-1745011-B1 MODULATORS OF CANNABINOID RECEPTORS UCL BUSINESS PLC (GB) 2009-09-30 EP disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 US disclosed
US-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 US disclosed
EP-1745011-A2 MODULATORS OF CANNABINOID RECEPTORS UCL Biomedica plc (GB) 2007-01-24 EP disclosed
WO-2005080316-A2 MODULATORS OF CANNABINOID RECEPTORS UCL BIOMEDICA PLC. (GB) 2005-09-01 WO 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-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 TRPM8 491/4885ACACB 3036/4885NPC1 1099/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 TRPM8 482/4885ACACB 3390/4885NPC1 2262/4885
US-20130123356-A1 MODULATOR MRGPRX2, NR3C2, MC2R TRPM8 49/4885ACACB 2315/4885NPC1 309/4885
US-20180116983-A1 COMPOUNDS FOR TREATING DISORDERS ASSOCIATED WITH BK CHANNEL MODULATION HCN4, KCNJ4, KCNQ4 TRPM8 98/4885ACACB 3843/4885NPC1 645/4885

“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.