SCHEMBL2764166

SCHEMBL2764166

CCCCCC=Cc1cccc(C(=O)NC(C)CO)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KCNK3 O14649 1/20 0.48
THRB P10828 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CNR1 P21554 4/20 0.46
ASAH2 Q9NR71 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 1/20 0.41

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
SCHEMBL2764163 1.00 CNR2 (0.48) CNR2ALDH1A1KCNK3THRBBLM
SCHEMBL13302517 1.00 CNR2 (0.48) CNR2ALDH1A1KCNK3THRBBLM
SCHEMBL2632439 0.92 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4TSHRLMNA
SCHEMBL13376358 0.88 MAP4K4 (0.41) ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL20810492 0.88 HPGD (0.42) ALDH1A1LMNASMN1; SMN2ATM
SCHEMBL17049468 0.87 CNR1 (0.42) CNR2ALDH1A1CNR1LMNASMN1; SMN2
SCHEMBL2623657 0.87 CNR1 (0.42) CNR2ALDH1A1CNR1LMNASMN1; SMN2
SCHEMBL2763061 0.87 CNR1 (0.42) CNR2ALDH1A1CNR1LMNASMN1; SMN2
SCHEMBL2763604 0.87 MAP4K4 (0.41) CNR2ALDH1A1KCNK3THRBBLM
SCHEMBL2763063 0.87 CNR1 (0.42) CNR2ALDH1A1CNR1LMNASMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20130123356-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2013-05-16 US disclosed
US-8293796-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2012-10-23 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 US 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-20080114062-A1 Modulator UNIVERSITY COLLEGE LONDON WOLFSON INSTITUTE FOR BIOMEDICAL RESEARCH (GB) 2008-05-15 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-20080114062-A1 Modulator CHRNA3, CHRM3, NR3C2 CNR2 16/4885ALDH1A1 3425/4885KCNK3 720/4885
US-20160107984-A1 MODULATOR CHRNA3, CHRNB3, CHRM3 CNR2 26/4885ALDH1A1 4349/4885KCNK3 510/4885
US-20130123356-A1 MODULATOR MRGPRX2, NR3C2, MC2R CNR2 82/4885ALDH1A1 1637/4885KCNK3 1574/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 CNR2 16/4885ALDH1A1 3425/4885KCNK3 720/4885

“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.