SCHEMBL801294

SCHEMBL801294

Cc1c(O)cc2c(C(=O)c3ccccc3)coc2c1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.56
MAPT P10636 4/20 0.50
CREBBP Q92793 1/20 0.50
CHEK1 O14757 1/20 0.49
EGFR P00533 1/20 0.49
KDR P35968 1/20 0.49
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
ALDH1A1 P00352 4/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
SIRT1 Q96EB6 2/20 0.47
LMNA P02545 4/20 0.44
HPGD P15428 4/20 0.44
MAPK1 P28482 3/20 0.44
HSD17B10 Q99714 3/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 2/20 0.44
TSHR P16473 2/20 0.44

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
SCHEMBL801573 0.84 PTGS2 (0.47) PTGS2MAPTCREBBPCHEK1EGFR
SCHEMBL290273 0.80 PTGS2 (0.64) PTGS2MAPTCREBBPCHEK1EGFR
SCHEMBL290323 0.80 PTGS2 (0.56) PTGS2MAPTCREBBPCHEK1EGFR
SCHEMBL802088 0.78 PTGS2 (0.44) PTGS2MAPTCHEK1EGFRKDR
SCHEMBL5773236 0.75 NPC1 (0.56) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL2853804 0.73 BCL2 (0.57) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL17997094 0.72 TSHR (0.60) PTGS2MAPTCREBBPCHEK1EGFR
SCHEMBL299172 0.72 PTGS2 (0.71) PTGS2MAPTCREBBPCHEK1EGFR
SCHEMBL290558 0.72 RAB9A (0.45) PTGS2MAPTCREBBPCHEK1EGFR
SCHEMBL290348 0.70 PTGS2 (0.59) PTGS2MAPTCREBBPKMT2AMEN1

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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2012-03-22 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-20120071523-A1 BENZOFURAN-4,5-DIONES AS SELECTIVE PEPTIDE DEFORMYLASE INHIBITORS PDF, EIF5B, EIF4E PTGS2 2098/4885MAPT 3128/4885CREBBP 227/4885

“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.