SCHEMBL3453258

SCHEMBL3453258

Cc1ccc(N=Nc2ccc3c(S(=O)(=O)O)cccc3c2O)c(C)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.67
▸ ALDH1A1 P00352 2/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ SENP2 Q9HC62 4/20 0.56
▸ ATIC P31939 3/20 0.56
▸ SUMO2 P61956 3/20 0.56
▸ SUMO1 P63165 3/20 0.56
▸ SENP7 Q9BQF6 3/20 0.56
▸ CTRB1 P17538 1/20 0.52
▸ THRB P10828 4/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ MPL P40238 2/20 0.50
▸ BLM P54132 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ APP P05067 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL344113 0.86 CYP1A2 (0.63) CYP1A2ALDH1A1HIF1ASENP2ATIC
SCHEMBL344112 0.86 CYP1A2 (0.63) CYP1A2ALDH1A1HIF1ASENP2ATIC
SCHEMBL3491757 0.85 ALDH1A1 (0.52) CYP1A2ALDH1A1HIF1ASENP2ATIC
SCHEMBL14159448 0.84 SENP2 (0.78) CYP1A2ALDH1A1HIF1ASENP2ATIC
SCHEMBL18218122 0.83 CYP1A2 (0.58) CYP1A2ALDH1A1HIF1ASENP2ATIC
SCHEMBL2830716 0.79 MPL (0.50) CYP1A2ALDH1A1HIF1ASENP2ATIC
SCHEMBL6654290 0.79 CTRB1 (0.82) CYP1A2ALDH1A1HIF1AATICCTRB1
SCHEMBL23787780 0.78 PHLPP2 (0.67) CYP1A2ALDH1A1SENP2ATICSUMO2
SCHEMBL18218135 0.78 CTRB1 (0.56) CYP1A2ALDH1A1HIF1ASENP2ATIC
SCHEMBL12960419 0.77 CYP1A2 (0.82) CYP1A2ALDH1A1HIF1ASENP2ATIC

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
US-7820150-B2 Cosmetic or dermatological formulations of improved pearlescence BEIERSDORF AG (DE) 2010-10-26 — — US disclosed
US-7592000-B2 Method of tanning human body by mysting or immersion at elevated temperature MERCK PATENT GMBH (DE) 2009-09-22 — — US disclosed
US-20070079754-A1 Method of tanning human body by mysting or immersion at elevated temperature MERCK PATENT GMBH (DE) 2007-04-12 — — US disclosed
US-20060045856-A1 Composition containing a dihydroxyacetone precursor MERCK PATENT GMBH (DE) 2006-03-02 — — 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-20060045856-A1 Composition containing a dihydroxyacetone precursor TYR, CUTA, DERA CYP1A2 156/4885ALDH1A1 11/4885HIF1A 1314/4885
US-20070079754-A1 Method of tanning human body by mysting or immersion at elevated temperature TYR, CUTA, TREH CYP1A2 720/4885ALDH1A1 2641/4885HIF1A 1043/4885

“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.

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