SCHEMBL11095020

SCHEMBL11095020

Nc1ccccc1Oc1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
HPGD P15428 3/20 0.58
CYP3A4 P08684 2/20 0.58
TSHR P16473 2/20 0.58
HSD17B10 Q99714 2/20 0.58
KEAP1 Q14145 1/20 0.58
GAA P10253 3/20 0.53
RCE1 Q9Y256 1/20 0.53
HTR1B P28222 2/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
TDP1 Q9NUW8 3/20 0.45
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
HPRT1 P00492 2/20 0.44
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
NR2E1 Q9Y466 1/20 0.42

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
SCHEMBL29577853 0.87 HTR1B (0.54) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL442767 0.87 HTR1B (0.54) ALDH1A1HPGDCYP3A4TSHRHSD17B10
SCHEMBL9324242 0.86 ALDH1A1 (0.56) ALDH1A1HPGDCYP3A4TSHRHSD17B10
Phosphine SCHEMBL28264511 0.84 HTR1B (0.52) ALDH1A1HPGDTSHRHSD17B10GAA
Lithium SCHEMBL6571336 0.84 HTR1B (0.52) ALDH1A1HPGDTSHRHSD17B10GAA
SCHEMBL27339322 0.84 HTR1B (0.52) ALDH1A1HPGDTSHRHSD17B10GAA
SCHEMBL7457103 0.84 HTR1B (0.52) ALDH1A1HPGDTSHRHSD17B10GAA
Methane SCHEMBL10959030 0.84 HTR1B (0.52) ALDH1A1HPGDTSHRHSD17B10GAA
SCHEMBL27559989 0.84 HTR1B (0.52) ALDH1A1HPGDTSHRHSD17B10GAA
SCHEMBL9387887 0.83 GAA (0.74) ALDH1A1HPGDCYP3A4TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10693077-B2 Compound and organic electronic device using the same SHANGHAI NICHEM FINE CHEMICAL CO., LTD. (CN) 2020-06-23 US disclosed
US-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2019-03-28 US disclosed
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME NICHEM FINE TECHNOLOGY CO., LTD. (TW) 2018-06-07 US disclosed
US-4472433-A Phenoxyphenyl acetic acids and their medicinal use FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0008226-B1 PHENYL-ALKANOIC ACID DERIVATIVES, THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-11-02 EP disclosed
EP-0027906-B1 PROCESS FOR PREPARING SULPHON AMIDES BAYER AG (DE) 1983-05-25 EP disclosed
EP-0027906-A1 Process for preparing sulphon amides BAYER AG (DE) 1981-05-06 EP disclosed
EP-0008226-A2 Phenyl-alkanoic acid derivatives, the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-20 EP 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 (3 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-20190092745-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SCO2, AOX1, ORC3 ALDH1A1 981/4885HPGD 4313/4885CYP3A4 400/4885
US-10693077-B2 Compound and organic electronic device using the same SOD1, SCO2, RCOR3 ALDH1A1 1162/4885HPGD 4310/4885CYP3A4 647/4885
US-20180155312-A1 COMPOUND AND ORGANIC ELECTRONIC DEVICE USING THE SAME SOD1, SCO2, RCOR3 ALDH1A1 1162/4885HPGD 4310/4885CYP3A4 647/4885

“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.