SCHEMBL3954754

SCHEMBL3954754

CSc1ccc(/C=C/c2ccc(Br)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 12/20 0.59
CYP1B1 Q16678 12/20 0.59
CYP1A2 P05177 11/20 0.59
ALDH1A1 P00352 2/20 0.52
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
RAB9A P51151 1/20 0.50
FBP1 P09467 1/20 0.50
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
KMT2A Q03164 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 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
SCHEMBL3954756 1.00 CYP1A1 (0.59) CYP1A1CYP1B1CYP1A2ALDH1A1CYP2C19
SCHEMBL13790243 0.88 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E
SCHEMBL7567897 0.88 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E
SCHEMBL8367958 0.88 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E
SCHEMBL13790333 0.88 CYP1A1 (0.71) CYP1A1CYP1B1CYP1A2ALDH1A1KDM4E
SCHEMBL116401 0.85
SCHEMBL8588523 0.83 CYP2A6 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL13430073 0.81 CYP2C19 (0.48) CYP1A1CYP1B1CYP1A2ALDH1A1CYP2C19
SCHEMBL2577996 0.80 ALDH1A1 (0.61) CYP1B1ALDH1A1CYP2C19KDM4EHPGD
SCHEMBL9679607 0.80 ALDH1A1 (0.61) CYP1B1ALDH1A1CYP2C19KDM4EHPGD

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-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles MERCK & CO., INC. 2009-11-19 US disclosed
EP-1989187-A4 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO (9,10-D) IMIDAZOLES MERCK FROSST CANADA LTD (CA) 2009-07-08 EP disclosed
EP-1989187-A1 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO (9,10-D) IMIDAZOLES Merck Frosst Canada Ltd. (CA) 2008-11-12 EP disclosed
WO-2007095753-A1 2-(PHENYL OR HETEROCYCLIC) - 1H-PHENANTHRO [9,10-D] IMIDAZOLES MERCK FROSST CANADA LTD. (CA) 2007-08-30 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-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles PTGES, PTGS1, PTGES2 CYP1A1 13/4885CYP1B1 16/4885CYP1A2 17/4885

“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.