SCHEMBL4419746

SCHEMBL4419746

Cc1cc(C)c(N=Nc2ccc3ccccc3c2O)c(S(=O)(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MPL P40238 4/20 0.65
▸ CTRC Q99895 2/20 0.65
▸ CTRB1 P17538 1/20 0.62
▸ CYP1A2 P05177 6/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ ALOX12 P18054 1/20 0.53
▸ CSNK2A1 P68400 1/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ L3MBTL1 Q9Y468 2/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ THRB P10828 2/20 0.51

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
SCHEMBL31300193 1.00 MPL (0.65) MPLCTRCCTRB1CYP1A2CYP2C9
SCHEMBL344113 0.86 CYP1A2 (0.63) MPLCTRCCTRB1CYP1A2CYP2C9
SCHEMBL344112 0.86 CYP1A2 (0.63) MPLCTRCCTRB1CYP1A2CYP2C9
SCHEMBL14400279 0.85 MPL (0.55) MPLCTRCCTRB1CYP1A2HPGD
SCHEMBL6320880 0.81 CTRB1 (0.66) MPLCTRCCTRB1CYP1A2CYP2C9
SCHEMBL31222680 0.81 CTRB1 (0.66) MPLCTRCCTRB1CYP1A2CYP2C9
SCHEMBL624823 0.80 CYP1A2 (0.47) MPLCTRCCTRB1CYP1A2CYP2C9
SCHEMBL4596966 0.79 MPL (1.00) MPLCTRCCTRB1CYP1A2CYP2C9
SCHEMBL4596970 0.79 MPL (1.00) MPLCTRCCTRB1CYP1A2CYP2C9
SCHEMBL8947148 0.79 MPL (0.64) MPLCTRCCTRB1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090324656-A1 COSMETIC PREPARATIONS WITH AN ADDITIVE FROM THE BAOBAB TREE ENGELS PETER 2009-12-31 — — US disclosed
US-20050238679-A1 Taurine-containing preparations for improving the skin barrier BEIERSDORF AG (DE) 2005-10-27 — — 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 (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-20050238679-A1 Taurine-containing preparations for improving the skin barrier CETP, CUTA, SPTLC3 MPL 2296/4885CTRC 2725/4885CTRB1 2217/4885
US-20090324656-A1 COSMETIC PREPARATIONS WITH AN ADDITIVE FROM THE BAOBAB TREE CUTA, BROX, MANBA MPL 2421/4885CTRC 2638/4885CTRB1 172/4885

“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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