SCHEMBL4339749

SCHEMBL4339749

Oc1ccc(Oc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
IDO1 P14902 2/20 0.50
ESRRA P11474 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.45
HSD17B10 Q99714 4/20 0.45
GAA P10253 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 2/20 0.45
JAK2 O60674 1/20 0.45
ESR1 P03372 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ESR2 Q92731 1/20 0.45
POLB P06746 3/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 1/20 0.43

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
1-Naphthol SCHEMBL15642069 0.88 CYP1A2 (0.71) CYP1A2IDO1ESRRAPTPN22HSD17B10
SCHEMBL1581774 0.88 IDO1 (0.65) CYP1A2IDO1HSD17B10GAAKMT2A
SCHEMBL676533 0.84 CYP1A2 (0.58) CYP1A2ESRRAPTPN22HSD17B10GAA
SCHEMBL29577853 0.83 HTR1B (0.54) CYP1A2ESRRAHSD17B10GAAKMT2A
SCHEMBL442767 0.83 HTR1B (0.54) CYP1A2ESRRAHSD17B10GAAKMT2A
SCHEMBL7159393 0.82 CYP1A2 (0.56) CYP1A2ESRRAPTPN22HSD17B10GAA
Lithium SCHEMBL6571336 0.81 HTR1B (0.52) CYP1A2ESRRAHSD17B10GAAKMT2A
SCHEMBL7457103 0.81 HTR1B (0.52) CYP1A2ESRRAHSD17B10GAAKMT2A
Methane SCHEMBL10959030 0.81 HTR1B (0.52) CYP1A2ESRRAHSD17B10GAAKMT2A
SCHEMBL4339747 0.81 PTPN22 (0.50) CYP1A2ESRRAPTPN22HSD17B10GAA

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-20120175022-A1 ANTI-TARNISH COATINGS ENTHONE INC. (US) 2012-07-12 US disclosed
US-20090231979-A1 OPTICAL RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-17 US disclosed
US-20020094993-A1 Compositions for repelling crawling insects S.C. JOHNSON & SON, INC. 2002-07-18 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-20020094993-A1 Compositions for repelling crawling insects ACHE, DDT, GAP43 CYP1A2 1275/4885IDO1 2046/4885ESRRA 4279/4885

“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.