SCHEMBL16190062

SCHEMBL16190062

Cc1ccc2cc(O)c(O)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.56
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
ALDH1A1 P00352 2/20 0.45
METAP2 P50579 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
STAT3 P40763 1/20 0.45
CCR1 P32246 1/20 0.42
RAB9A P51151 1/20 0.42
CCR5 P51681 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL244724 0.87 CYP1A2 (0.52) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL25105737 0.87 CYP1A2 (0.52) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL13737910 0.84 CYP1A2 (0.48) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL244649 0.84 CYP1A2 (0.48) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL31254036 0.84 PTPN1 (0.51) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL10259445 0.83 CYP1A2 (0.68) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL9217980 0.80 CYP1A2 (0.65) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL1562712 0.77 CYP1A2 (0.61) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL862233 0.76 CYP1A2 (0.60) CYP1A2KDM4ELMNAPOLBCASP6
SCHEMBL31186677 0.76 CYP1A2 (0.60) CYP1A2KDM4ELMNAPOLBCASP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140311890-A1 PHOTOACID COMPOUNDS, AND RELATED COMPOSITIONS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2014-10-23 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 (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-20140311890-A1 PHOTOACID COMPOUNDS, AND RELATED COMPOSITIONS, METHODS AND SYSTEMS PAM, PPOX, HCCS CYP1A2 562/4885KDM4E 3712/4885LMNA 1781/4885

“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.