SCHEMBL3855841

SCHEMBL3855841

COc1cc(C(=O)N2c3ccccc3-c3ccc(F)cc3[C@H]2C)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
MCL1 Q07820 1/20 0.43
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
RAB9A P51151 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
CXCL12 P48061 1/20 0.39
KCNA3 P22001 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL3854370 1.00 TSHR (0.45) TSHRMCL1KMT2AMEN1SLC22A6
SCHEMBL3855534 0.90 TSHR (0.45) TSHRMCL1KMT2AMEN1SMN1; SMN2
SCHEMBL3856141 0.89 TSHR (0.45) TSHRMCL1KMT2AMEN1RAB9A
SCHEMBL3853993 0.87 KMT2A (0.41) TSHRKMT2AMEN1SLC22A12
SCHEMBL3860324 0.87 KMT2A (0.41) TSHRKMT2AMEN1SLC22A12
SCHEMBL3857440 0.87 TSHR (0.44) TSHRMCL1KMT2AMEN1RAB9A
SCHEMBL3860298 0.85 KMT2A (0.41) TSHRKMT2AMEN1SLC22A12
SCHEMBL3860727 0.85 KMT2A (0.41) TSHRKMT2AMEN1SLC22A12
SCHEMBL3854734 0.85 ALDH1A1 (0.46) TSHRKMT2AMEN1RAB9AHTT
SCHEMBL3855973 0.84 KMT2A (0.40) KMT2AMEN1RAB9ASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 US claimed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 US claimed
US-7585871-B2 4-{[(6R)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 3-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; 4-{[(6S)-8-fluoro-6-methylphenanthridin-5(6H)-yl]carbonyl}phenol; cytokine expression WYETH (US) 2009-09-08 US disclosed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 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-20060058337-A1 Phenanthridine carbonyl phenols MT-CO2, PAH, CBR3 TSHR 4656/4885MCL1 1860/4885KMT2A 1282/4885

“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.