SCHEMBL16252244

SCHEMBL16252244

Cc1ccc(Cn2ccc3c(-c4ccc(Cl)cc4)c(C(OC(C)(C)C)C(=O)O)n(C)c(=O)c32)o1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL14810166 0.90 CYP3A4 (0.33) CYP3A4ALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL14809136 0.86 MAPT (0.37) CYP3A4ALDH1A1KDM4EHSD17B10POLB
SCHEMBL14823828 0.84 CYP3A4 (0.36) CYP3A4ALDH1A1KDM4E
SCHEMBL16252243 0.84 CYP3A4 (0.36) CYP3A4ALDH1A1KDM4EMAPT
SCHEMBL14810111 0.84 MAPT (0.39) CYP3A4ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL14809798 0.84 CYP3A4 (0.36) CYP3A4MAPT
SCHEMBL14810084 0.84 CYP3A4 (0.36) CYP3A4ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL14809836 0.83 MAPT (0.36) CYP3A4ALDH1A1POLBMAPT
SCHEMBL16252239 0.82 CYP3A4 (0.34) CYP3A4
SCHEMBL14810135 0.82 CYP3A4 (0.34) CYP3A4

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-9012642-B2 Pyrrolopyridinone compounds and methods for treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2015-04-21 US disclosed
US-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV VIIV HEALTHCARE UK LIMITED (GB) 2014-11-20 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-20140343092-A1 Pyrrolopyridinone Compounds And Methods For Treating HIV DHPS, PRNP, TYMP CYP3A4 573/4885ALDH1A1 3281/4885KDM4E 452/4885

“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.