SCHEMBL2198191

SCHEMBL2198191

Cc1ccc(C(=O)O)cc1C(=O)c1ccc(N)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.47
CYP3A4 P08684 2/20 0.46
MAPK13 O15264 4/20 0.43
MAPK12 P53778 4/20 0.43
MAPK11 Q15759 4/20 0.43
MAPK14 Q16539 4/20 0.43
TSHR P16473 1/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 1/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 4/20 0.40
GAA P10253 3/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RCE1 Q9Y256 1/20 0.40

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
Acetic Acid SCHEMBL2199665 0.89 SRD5A2 (0.47) SRD5A2CYP3A4MAPK13MAPK12MAPK11
SCHEMBL2197311 0.85 MAPT (0.49) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL5174489 0.84 CYP3A4 (0.50) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL7035012 0.83 CYP3A4 (0.48) SRD5A2CYP3A4MAPK13MAPK12MAPK11
SCHEMBL27634516 0.82 SRD5A2 (0.46) SRD5A2CYP3A4TSHRALDH1A1KDM4E
SCHEMBL2199850 0.81 MAPK13 (0.52) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL2196064 0.81 MAPK13 (0.41) CYP3A4MAPK13MAPK12MAPK11MAPK14
SCHEMBL27655426 0.81 SRD5A2 (0.44) SRD5A2CYP3A4MAPK13MAPK12MAPK11
SCHEMBL2196637 0.80 HPGD (0.51) CYP3A4MAPK13MAPK12MAPK11MAPK14
Terephthalic Acid SCHEMBL27403238 0.80 CYP3A4 (0.68) SRD5A2CYP3A4TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658263-B9 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2011-11-09 EP disclosed
US-7977387-B2 Aminobenzophenone compounds LEO PHARMA A/S (DK) 2011-07-12 US disclosed
EP-1658263-B1 NOVEL AMINOBENZOPHENONE COMPOUNDS LEO PHARMA AS (DK) 2010-06-02 EP disclosed
US-20060166990-A1 Novel aminobenzophenone compounds LEO PHARMA A/S (DK) 2006-07-27 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-20060166990-A1 Novel aminobenzophenone compounds NFKBIA, UACA, ALDH7A1 SRD5A2 1643/4885CYP3A4 613/4885MAPK13 1063/4885

“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.