SCHEMBL20594586

SCHEMBL20594586

Cc1ccc(-c2cc(=O)c3ccc4ccccc4c3o2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 14/20 0.78
CYP1B1 Q16678 14/20 0.78
CYP1A2 P05177 12/20 0.78
ABCB1 P08183 3/20 0.78
ABCC1 P33527 3/20 0.78
ABCG2 Q9UNQ0 3/20 0.78
PRKDC P78527 3/20 0.78
KDM4E B2RXH2 1/20 0.78
PDE5A O76074 1/20 0.78
ALDH1A1 P00352 1/20 0.78
TP53 P04637 1/20 0.78
CYP3A4 P08684 1/20 0.78
CYP2D6 P10635 1/20 0.78
MAPT P10636 1/20 0.78
CYP19A1 P11511 1/20 0.78
CYP2C9 P11712 1/20 0.78
HPGD P15428 1/20 0.78
TSHR P16473 1/20 0.78
CYP2B6 P20813 1/20 0.78
TACR2 P21452 1/20 0.78

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
SCHEMBL29407618 1.00 CYP1A1 (0.78) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
Alpha-Naphthoflavone SCHEMBL29351090 0.88 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
Alpha-Naphthoflavone SCHEMBL121594 0.88 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL31061133 0.86 PRKDC (1.00) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL4650874 0.85 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL14697066 0.85 CYP1A1 (0.77) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
Alpha-Naphthoflavone SCHEMBL17292887 0.83 CYP1A1 (0.84) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL11643109 0.83 MAOB (0.54) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL4069839 0.83 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCB1ABCC1
SCHEMBL30917246 0.83 CYP1A1 (1.00) CYP1A1CYP1B1CYP1A2ABCB1ABCC1

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-12453713-B2 Liquid formulation to treat a corneal tissue VISION ENGINEERING ITALY SRL (IT) 2025-10-28 US disclosed
US-20230131004-A1 LIQUID FORMULATION, IN PARTICULAR TO TREAT A CORNEAL TISSUE VISION ENGINEERING ITALY SRL (IT) 2023-04-27 US disclosed
US-20210069230-A1 SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES THE BROAD INSTITUTE, INC. (US) 2021-03-11 US disclosed
WO-2018234421-A1 METHOD OF MODULATING IMMUNE CELLS OSLO UNIVERSITETSSYKEHUS HF (NO) 2018-12-27 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-20210069230-A1 SYNERGISTIC DRUG COMBINATIONS PREDICTED FROM GENOMIC FEATURES AND SINGLE-AGENT RESPONSE PROFILES ABCC1, TSG101, BRCA1 CYP1A1 4156/4885CYP1B1 4407/4885CYP1A2 3757/4885

“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.