SCHEMBL463716

SCHEMBL463716

Oc1ccc(-c2c(Cl)cc(Cl)cc2Cl)cc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.62
TSHR P16473 3/20 0.62
ESR2 Q92731 4/20 0.57
ESR1 P03372 3/20 0.52
AHR P35869 1/20 0.50
HSD17B1 P14061 3/20 0.47
HSD17B2 P37059 3/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX5 P09917 2/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
RECQL P46063 1/20 0.44
PRKCZ Q05513 1/20 0.42
MEN1 O00255 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
SCHEMBL28171754 0.86 ALOX5 (0.61) HSD17B10TSHRESR2AHRCYP3A4
SCHEMBL28202577 0.83 ESR2 (0.77) HSD17B10TSHRESR2ESR1AHR
SCHEMBL29911026 0.83 ESR2 (0.77) HSD17B10TSHRESR2ESR1AHR
SCHEMBL278316 0.83 ESR2 (0.77) HSD17B10TSHRESR2ESR1AHR
SCHEMBL463744 0.81 ESR2 (0.52) HSD17B10TSHRESR2ESR1AHR
Methane SCHEMBL10594573 0.80 ESR2 (0.74) HSD17B10TSHRESR2ESR1AHR
SCHEMBL463328 0.80 ESR2 (0.55) HSD17B10TSHRESR2ESR1AHR
SCHEMBL3566128 0.79 ESR2 (0.72) HSD17B10TSHRESR2ESR1AHR
SCHEMBL11877711 0.78 ESR2 (0.53) HSD17B10TSHRESR2ESR1HSD17B1
SCHEMBL4459758 0.78 AHR (0.65) HSD17B10TSHRAHRCYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 US disclosed
US-8168663-B2 Pharmaceutically acceptable salt of 6-carboxy-2-(3,5 dichlorophenyl)-benzoxazole, and a pharmaceutical composition comprising the salt thereof THE SCRIPPS RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES THE SCRIPPS RESEARCH INSTITUTE (US) 2012-03-15 US disclosed
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-13 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-20120065237-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP HSD17B10 1358/4885TSHR 1892/4885ESR2 4175/4885
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP HSD17B10 1358/4885TSHR 1892/4885ESR2 4175/4885

“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.