SCHEMBL3860835

SCHEMBL3860835

COc1cccc(C(=O)N2c3ccccc3-c3ccc(F)cc3C2C)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
ALDH1A1 P00352 3/20 0.49
HSD11B1 P28845 1/20 0.46
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL3860967 0.92 ALDH1A1 (0.49) KMT2AMEN1CRHBPCRHR2ALDH1A1
SCHEMBL3854734 0.89 ALDH1A1 (0.46) KMT2AMEN1CRHBPCRHR2ALDH1A1
SCHEMBL3860943 0.86 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3863242 0.86 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL3855286 0.84 CPS1 (0.43) KMT2AMEN1CRHBPCRHR2ALDH1A1
SCHEMBL3854933 0.84 CPS1 (0.50)
SCHEMBL3856141 0.84 TSHR (0.45) KMT2AMEN1ALDH1A1BCHEACHE
SCHEMBL3855534 0.83 TSHR (0.45) KMT2AMEN1HSD11B1HPGDTSHR
SCHEMBL3854370 0.83 TSHR (0.45) KMT2AMEN1ALDH1A1HPGDRAB9A
SCHEMBL3855841 0.83 TSHR (0.45) KMT2AMEN1ALDH1A1HPGDRAB9A

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 disclosed
EP-1784391-A1 PHENANTHRIDINE CARBONYL PHENOLS AS CYTOKINE EXPRESSION MODULATORS Wyeth (US) 2007-05-16 EP disclosed
US-20060058337-A1 Phenanthridine carbonyl phenols WYETH (US) 2006-03-16 US disclosed
WO-2006028875-A1 PHENANTHRIDINE CARBONYL PHENOLS AS CYTOKINE MODULATORS WYETH (US) 2006-03-16 WO 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 KMT2A 1282/4885MEN1 3644/4885CRHBP 984/4885

“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.