SCHEMBL2467605

SCHEMBL2467605

Oc1cccc2ccc3ccc4ccccc4c3c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.62
HSD17B10 Q99714 5/20 0.58
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
THRB P10828 3/20 0.58
PTPN22 Q9Y2R2 1/20 0.52
TSHR P16473 3/20 0.50
MAPT P10636 3/20 0.50
TDP1 Q9NUW8 2/20 0.50
CASP1 P29466 2/20 0.50
APP P05067 1/20 0.50
ALOX15 P16050 1/20 0.50
SNCA P37840 1/20 0.50
RECQL P46063 1/20 0.50
CDK4 P11802 1/20 0.49
CCND1 P24385 1/20 0.49
POLB P06746 2/20 0.48
CYP2A6 P11509 1/20 0.48
ATM Q13315 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL380657 0.93 CYP1A2 (0.65) CYP1A2HSD17B10ALDH1A1HPGDTHRB
Methane SCHEMBL8622876 0.91 CYP1A2 (0.62) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL29589326 0.90 HSD17B10 (0.58) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL18600578 0.90 HSD17B10 (0.58) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL7126508 0.85 ALDH1A1 (0.59) CYP1A2HSD17B10ALDH1A1HPGDTHRB
Pyrene SCHEMBL28791415 0.84 CYP1A2 (0.81) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL29436081 0.83 CYP1A2 (0.60) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL20508159 0.83 CYP1A2 (0.60) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL30903911 0.83 CYP1A2 (0.60) CYP1A2HSD17B10ALDH1A1HPGDTHRB
SCHEMBL535472 0.83 HSD17B10 (0.72) CYP1A2HSD17B10ALDH1A1HPGDTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8410303-B2 Direct conversion of phenols into amides and esters of benzoic acid The Florida State University Research Foundation, Inc. (US) 2013-04-02 US disclosed
US-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID The Florida State University Research Foundation, Inc. (US) 2011-09-29 US disclosed
US-20030092637-A1 Novel compounds XYLOGEN AB (SE) 2003-05-15 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 (2 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-20030092637-A1 Novel compounds ENTPD5, G6PD, G6PC1 CYP1A2 2334/4885HSD17B10 859/4885ALDH1A1 986/4885
US-20110237798-A1 DIRECT CONVERSION OF PHENOLS INTO AMIDES AND ESTERS OF BENZOIC ACID DDC, NISCH, TST CYP1A2 152/4885HSD17B10 1393/4885ALDH1A1 1033/4885

“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.