SCHEMBL13394342

SCHEMBL13394342

O=C(CC1=C(C(=O)O)Cc2ccccc21)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.40
AKR1B1 P15121 2/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PPARG P37231 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
APAF1 O14727 1/20 0.37
HPGD P15428 1/20 0.37
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM5 P08912 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 2/20 0.37

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
SCHEMBL77563 0.72 CES1 (0.70) AKR1B1CES2CES1L3MBTL1TDP1
SCHEMBL28605799 0.72 PNMT (0.54) SRD5A2AKR1B1CES2CES1L3MBTL1
SCHEMBL19985653 0.72 ALDH1A1 (0.50) L3MBTL1TDP1MAPTALDH1A1KMT2A
SCHEMBL13930985 0.71 SRD5A2 (0.41) SRD5A2AKR1B1ALDH1A1KMT2APPARG
Hydrochloric Acid SCHEMBL27690655 0.70 CES1 (0.67) AKR1B1CES2CES1L3MBTL1TDP1
SCHEMBL9693670 0.70 CES1 (0.67) AKR1B1CES2CES1L3MBTL1TDP1
SCHEMBL12401716 0.70 SRD5A2 (0.49) SRD5A2CES1ALDH1A1PPARGCYP2C9
SCHEMBL13930987 0.69 AKR1B1 (0.46) SRD5A2AKR1B1MAPTALDH1A1MEN1
SCHEMBL13930983 0.69 ALDH1A1 (0.40) SRD5A2L3MBTL1TDP1MAPTALDH1A1
SCHEMBL714287 0.68 HSD11B1 (0.54) SRD5A2CES1ALDH1A1PPARGCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100099732-A1 MEDICAMENTS USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-04-22 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-20100099732-A1 MEDICAMENTS USEFUL AS POTASSIUM CHANNEL MODULATORS KCNN2, KCNN1, KCNN3 SRD5A2 3400/4885AKR1B1 1385/4885CES2 2979/4885

“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.