SCHEMBL1572871

SCHEMBL1572871

COc1cc(CCI)cc(CCI)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.53
CALM1 P0DP23 4/20 0.50
ALDH1A1 P00352 2/20 0.46
AKR1B1 P15121 1/20 0.46
PTGS2 P35354 1/20 0.44
GABRA1 P14867 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL9830950 0.95 CYP19A1 (0.59) CYP19A1CALM1ALDH1A1AKR1B1PTGS2
SCHEMBL7360617 0.82 CYP19A1 (0.50) CYP19A1CALM1ALDH1A1AKR1B1PTGS2
SCHEMBL9491787 0.79 CYP19A1 (0.68) CYP19A1CALM1ALDH1A1AKR1B1PTGS2
SCHEMBL30682550 0.79 ALDH1A1 (0.56) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7336705 0.79 TAAR1 (0.67) TAAR1
SCHEMBL5277380 0.79 PTGS2 (0.51) CYP19A1CALM1ALDH1A1AKR1B1PTGS2
SCHEMBL178692 0.78 TAAR1 (0.64) CALM1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7544110 0.76 TAAR1 (0.61) CALM1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9826743 0.76 TAAR1 (0.61) CALM1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8065351 0.75 ALDH1A1 (0.58) CYP19A1CALM1ALDH1A1AKR1B1GRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120819-B2 FGF-receptor agonist dimeric compounds SANOFI (FR) 2015-09-01 US disclosed
EP-2018165-B1 FGF-PECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI AVENTIS (FR) 2011-04-13 EP disclosed
US-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2009-03-12 US disclosed
EP-2018165-A1 FGF-PECEPTOR AGONIST DIMERIC COMPOUNDS Sanofi-Aventis (FR) 2009-01-28 EP disclosed
WO-2007080325-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2007-07-19 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-20090069368-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS FGF2, FGFR1, FGF1 CYP19A1 1395/4885CALM1 2690/4885ALDH1A1 1044/4885

“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.