SCHEMBL3221189

SCHEMBL3221189

CCCCC(CC)Cc1cc(C(=O)O)c(N)c(C(C)C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
CA2 P00918 3/20 0.34
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 3/20 0.34

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
SCHEMBL5986239 0.83 ALDH1A1 (0.37) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL11331262 0.79 ALDH1A1 (0.44) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL6057194 0.79 ALDH1A1 (0.48) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL14645866 0.78 ALDH1A1 (0.40) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL28149306 0.77 CA2 (0.36) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL10769054 0.77 KDM4E (0.38) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL7734766 0.76 ALDH1A1 (0.36) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL5525468 0.74 ALDH1A1 (0.39) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL2535736 0.74 KDM4E (0.38) ALDH1A1CA2GABRPGABRDGABRA1
SCHEMBL6447105 0.74 CA2 (0.36) ALDH1A1CA2GABRPGABRDGABRA1

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-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US claimed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO claimed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO claimed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
WO-2008083975-A1 LIGHT-STABILIZED COMPOSITION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008083974-A1 ACTIVE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2008-07-17 WO disclosed
WO-2008067928-A1 UV ABSORBING COMPOSITIONS CONTAINING A PYRROLYLTRIAZINE ISDIN S.A. (ES) 2008-06-12 WO 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-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 ALDH1A1 28/4885CA2 3587/4885GABRP 902/4885

“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.