SCHEMBL31061033

SCHEMBL31061033

O=c1cc(-c2cccc(F)c2)oc2c1ccc1ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 15/20 1.00
CYP1B1 Q16678 15/20 1.00
CYP1A2 P05177 14/20 1.00
PRKDC P78527 3/20 1.00
XDH P47989 1/20 0.76
KDM4E B2RXH2 1/20 0.74
PDE5A O76074 1/20 0.74
ALDH1A1 P00352 1/20 0.74
TP53 P04637 1/20 0.74
ABCB1 P08183 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2D6 P10635 1/20 0.74
MAPT P10636 1/20 0.74
CYP19A1 P11511 1/20 0.74
CYP2C9 P11712 1/20 0.74
HPGD P15428 1/20 0.74
TSHR P16473 1/20 0.74
CYP2B6 P20813 1/20 0.74
TACR2 P21452 1/20 0.74
TBXAS1 P24557 1/20 0.74

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
Alpha-Naphthoflavone SCHEMBL29351090 0.86 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCXDH
Alpha-Naphthoflavone SCHEMBL121594 0.86 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCXDH
SCHEMBL9328540 0.81 CYP1A1 (0.67) CYP1A1CYP1B1CYP1A2PRKDCXDH
SCHEMBL8532 0.79 GABRP (1.00) CYP1A1CYP1B1CYP1A2PRKDCTP53
SCHEMBL14708624 0.78 MCL1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCXDH
SCHEMBL6617302 0.78 TERT (0.76) CYP1A1CYP1B1CYP1A2PRKDCKDM4E
Alpha-Naphthoflavone SCHEMBL17292887 0.78 CYP1A1 (0.84) CYP1A1CYP1B1CYP1A2PRKDCXDH
SCHEMBL20594586 0.78 CYP1A1 (0.78) CYP1A1CYP1B1CYP1A2PRKDCXDH
SCHEMBL4069839 0.78 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCXDH
SCHEMBL31060597 0.78 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2PRKDCXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed