SCHEMBL20454563

SCHEMBL20454563

C=CCOc1cccc2c1-c1ccccc1-2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ LIG1 P18858 1/20 0.45
▸ HTR1A P08908 3/20 0.44
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ PTPRC P08575 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ ADRA2C P18825 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SLC22A1 O15245 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ ADRB2 P07550 1/20 0.40

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
SCHEMBL7764770 0.82 HPGD (0.55) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL5919579 0.80 KCNA3 (0.50) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL4621723 0.80 ATM (0.47) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL10663882 0.80 KCNA3 (0.57) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL366516 0.80 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
1,2-Diallyloxybenzene SCHEMBL29768784 0.80 HPGD (0.60) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL6663936 0.78 HTR7 (0.53) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL4619848 0.77 ATM (0.45) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL29771458 0.76 PTPRC (0.57) HPGDTSHRMAPK1HSD17B10LIG1
SCHEMBL17594770 0.76 TOP1 (0.56) HPGDTSHRMAPK1HSD17B10LIG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002604-A1 HETERORING-CONTAINING SILOXANE POLYMER, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT DAINIPPON INK & CHEMICALS (JP) 2019-01-03 — — US disclosed
US-20180223181-A1 SILOXANE MONOMER, POLYMER THEREOF, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT DAINIPPON INK & CHEMICALS (JP) 2018-08-09 — — 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-20180223181-A1 SILOXANE MONOMER, POLYMER THEREOF, COMPOSITION CONTAINING SAID POLYMER, AND ELECTRONIC ELEMENT ILK, LIMA1, EED HPGD 3776/4885TSHR 4881/4885MAPK1 1229/4885

“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.

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