SCHEMBL17215003

SCHEMBL17215003

Cc1ccc(-c2ccc3ccccc3c2)o1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CYP1A1 P04798 1/20 0.44
CYP1B1 Q16678 1/20 0.44
CYP2A6 P11509 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GSTP1 P09211 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
GSK3B P49841 5/20 0.42
ALOX5 P09917 1/20 0.41
PTGS2 P35354 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
SCHEMBL18551784 0.80 GSK3B (0.56) SMN1; SMN2CYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL27815464 0.80 CYP1A2 (0.52) SMN1; SMN2CYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL18539950 0.79 CYP1A2 (0.47) SMN1; SMN2CYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL17214863 0.78 ALOX5 (0.50) SMN1; SMN2CYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL13680589 0.78 GSK3B (0.39) SMN1; SMN2ALDH1A1HPGDTSHRHSD17B10
SCHEMBL18551809 0.76 RAB9A (0.61) SMN1; SMN2CYP1A2ALDH1A1CYP3A4TSHR
SCHEMBL23197679 0.76 TDP1 (0.56) SMN1; SMN2ALDH1A1HPGDTSHRHSD17B10
SCHEMBL28688868 0.76 CYP1A2 (0.47) SMN1; SMN2CYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL8532336 0.75 HPGD (0.52) SMN1; SMN2ALDH1A1HPGDCYP3A4CYP2C9
SCHEMBL2199459 0.74 PTGS1 (0.55) SMN1; SMN2ALDH1A1HPGDCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-02-23 US disclosed
WO-2015164411-A9 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASE POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-05-26 WO disclosed
WO-2015164411-A2 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2015-10-29 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-20170050979-A1 SMALL MOLECULE INHIBITORS OF G PROTEIN COUPLED RECEPTOR 6 KINASES POLYPEPTIDES GRK6, GRK2, GRK3 SMN1; SMN2 4582/4885CYP1A2 4876/4885ALDH1A1 4741/4885

“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.