SCHEMBL6437484

SCHEMBL6437484

COc1ccc2c3c(cc(C#N)c2c1)-c1cc(F)c(OC)cc1CO3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 3/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
KCNH2 Q12809 1/20 0.33
CYP3A4 P08684 2/20 0.33
EGFR P00533 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALOX5 P09917 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
ALOX15 P16050 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CLK1 P49759 2/20 0.31
CDK5 Q00535 2/20 0.31
DYRK1A Q13627 2/20 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
SCHEMBL6436081 0.85 KDM4E (0.38) KCNJ1MAPK1MAPTHPGDKCNH2
SCHEMBL6440517 0.84 HTT (0.37) HTTMAPK1MAPTLMNAHPGD
SCHEMBL6442254 0.79 HTT (0.40) HTTMAPK1MAPTLMNAHPGD
SCHEMBL26768912 0.70 CYP3A4 (0.55) HTTMAPK1MAPTLMNAHPGD
SCHEMBL3840410 0.67 ESR1 (0.41) AR
SCHEMBL6439121 0.67 MAPT (0.39) HTTMAPK1MAPTLMNAHPGD
SCHEMBL6436077 0.66 RXRA (0.46) HTTMAPK1MAPTLMNAHPGD
SCHEMBL6440958 0.66 SMN1; SMN2 (0.38) HTTMAPK1MAPTLMNAHPGD
SCHEMBL26259487 0.66 KDM4E (0.45) HTTMAPK1MAPTLMNAHPGD
SCHEMBL6436723 0.64 MPO (0.36) MAPTLMNAHPGDCYP3A4MAPK14

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
EP-1453820-B1 SUBSTITUTED 6H-DIBENZO[C,H]CHROMENES AS ESTROGENIC AGENTS WYETH CORP (US) 2005-06-01 EP disclosed
US-6723747-B2 ESTROGEN RECEPTOR MODULATORS USEFUL IN TREATING OR INHIBITING CONDITIONS, DISORDERS, OR DISEASE STATES AT LEAST PARTIALLY MEDIATED BY ESTROGEN DEFICIENCY OR EXCESS, OR WHICH MAY BE TREATED OR INHIBITED THROUGH USE OF ESTROGENIC AGENT WYETH 2004-04-20 US disclosed
US-20030176491-A1 Substituted 6H-DiBenzo[c,h]chromenes as estrogenic agents WYETH 2003-09-18 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-20030176491-A1 Substituted 6H-DiBenzo[c,h]chromenes as estrogenic agents ESR2, ESR1, ESRRA KCNJ1 2305/4885HTT 4004/4885MAPK1 484/4885

“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.