SCHEMBL3940100

SCHEMBL3940100

Nc1ccccc1C(CO)CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.41
ALOX15 P16050 3/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 4/20 0.39
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSD17B10 Q99714 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
NOS3 P29474 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
MAPT P10636 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL10896852 0.85 ALDH1A1 (0.35) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL21786233 0.84 ALDH1A1 (0.37) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3243887 0.82 ALDH1A1 (0.38) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL3940465 0.81 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL29361993 0.81 CYP3A4 (0.41) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL8573119 0.77 TSHR (0.42) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL2495978 0.76 ALDH1A1 (0.45) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL9644445 0.76 HTR2A (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
Ammonia Solution, Strong SCHEMBL25333625 0.74 ALDH1A1 (0.43) CYP3A4ALOX15CASP1CASP7SMN1; SMN2
SCHEMBL30365237 0.74 CYP3A4 (0.50) CYP3A4ALOX15CASP1CASP7SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090203667-A1 PENTADIENAMIDE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-08-13 US disclosed
EP-2050734-A1 PENTADIENAMIDE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-04-22 EP disclosed
US-6004669-A ELECTROSTATIC CHARGING MEMBER, UNIFORMLY DISPERSED IN A MODIFIED RESIN AS A BASE POLYMER BEING MODIFIED BY AN AMINE GROUP WHICH HAS AN ACID-BASE INTERACTION WITH THE OXIDATION-PROCESSED ELECTRICALLY-CONDUCTING AGENT, FUJI XEROX CO., LTD. (JP) 1999-12-21 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 (1 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-20090203667-A1 PENTADIENAMIDE DERIVATIVES PRMT1, REN, NGLY1 CYP3A4 410/4885ALOX15 3642/4885CASP1 3529/4885

“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.