SCHEMBL2632439

SCHEMBL2632439

CCC/C=C\c1cccc(C(=O)NC(C)CO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ATM Q13315 1/20 0.43
HPGD P15428 2/20 0.41
MAP4K4 O95819 1/20 0.41
TAS1R3 Q7RTX0 3/20 0.41
TAS1R1 Q7RTX1 3/20 0.41
RAB9A P51151 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
NPC1 O15118 2/20 0.39
PIN1 Q13526 1/20 0.38

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 0.92 CNR2 (0.48) ALDH1A1LMNASMN1; SMN2ATMCYP1A2
SCHEMBL13302517 0.92 CNR2 (0.48) ALDH1A1LMNASMN1; SMN2ATMCYP1A2
SCHEMBL2764166 0.92 CNR2 (0.48) ALDH1A1LMNASMN1; SMN2ATMCYP1A2
SCHEMBL13376358 0.87 MAP4K4 (0.41) ALDH1A1LMNASMN1; SMN2ATMHPGD
SCHEMBL20810492 0.87 HPGD (0.42) ALDH1A1LMNASMN1; SMN2ATMHPGD
SCHEMBL17049468 0.86 CNR1 (0.42) ALDH1A1LMNASMN1; SMN2ATMHPGD
SCHEMBL2763063 0.86 CNR1 (0.42) ALDH1A1LMNASMN1; SMN2ATMHPGD
SCHEMBL2623657 0.86 CNR1 (0.42) ALDH1A1LMNASMN1; SMN2ATMHPGD
SCHEMBL2763606 0.86 MAP4K4 (0.41) ALDH1A1ATMHPGDMAP4K4
SCHEMBL2763061 0.86 CNR1 (0.42) ALDH1A1LMNASMN1; SMN2ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293796-B2 Modulator UNIVERSITY COLLEGE LONDON (GB) 2012-10-23 US disclosed
US-20120101301-A1 PROCESS FOR PREPARING CARBOXYLIC ACID AMIDES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS UCL BUSINESS PLC (GB) 2012-04-26 US disclosed
US-20100144876-A1 MODULATOR UNIVERSITY COLLEGE LONDON (GB) 2010-06-10 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 (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-20120101301-A1 PROCESS FOR PREPARING CARBOXYLIC ACID AMIDES USEFUL IN THE TREATMENT OF MUSCULAR DISORDERS CPT1B, MUSK, C1R ALDH1A1 1230/4885LMNA 1082/4885SMN1; SMN2 70/4885
US-20100144876-A1 MODULATOR CHRNA3, CHRM3, NR3C2 ALDH1A1 3425/4885LMNA 3750/4885SMN1; SMN2 261/4885

“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.