SCHEMBL13563003

SCHEMBL13563003

c1ccc(-c2ccc3c(c2)oc2c3ccc3c4ccccc4ccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 10/20 0.48
CYP1B1 Q16678 9/20 0.48
CYP1A2 P05177 9/20 0.48
ABCG2 Q9UNQ0 4/20 0.48
PRKDC P78527 2/20 0.48
ABCC1 P33527 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PDE5A O76074 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
ABCB1 P08183 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP19A1 P11511 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
CYP2B6 P20813 1/20 0.48
TACR2 P21452 1/20 0.48

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
SCHEMBL21034862 0.90 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL17944661 0.89 CYP1A1 (0.48) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL13564016 0.88 DYRK1A (0.47) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL13562236 0.87 PGR (0.45) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL24889291 0.87 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL19081498 0.87 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL10110575 0.87 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL16068005 0.87 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL10110557 0.87 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2ABCG2PRKDC
SCHEMBL13521097 0.87 CYP1A1 (0.46) CYP1A1CYP1B1CYP1A2ABCG2PRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-11-01 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-20120273768-A1 HETEROCYCLE-CONTAINING ASYMMETRIC AROMATIC COMPOUND, COMPOUND FOR ORGANIC THIN FILM TRANSISTOR, AND ORGANIC THIN FILM TRANSISTOR USING THE SAME TCF4, TPR, H1-4 CYP1A1 80/4885CYP1B1 249/4885CYP1A2 160/4885

“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.