SCHEMBL463744

SCHEMBL463744

Oc1ccc(-c2c(Cl)cc(Cl)c(Cl)c2Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 4/20 0.52
ESR1 P03372 3/20 0.49
TSHR P16473 6/20 0.45
HSD17B10 Q99714 6/20 0.45
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HPGD P15428 5/20 0.41
CYP3A4 P08684 3/20 0.41
MAPK1 P28482 2/20 0.41
HSP90AA1 P07900 1/20 0.41
AHR P35869 4/20 0.40
ALDH1A1 P00352 1/20 0.40
CASP1 P29466 1/20 0.39
CYP1B1 Q16678 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL463328 0.88 ESR2 (0.55) ESR2ESR1TSHRHSD17B10HSD17B1
SCHEMBL4449757 0.81 AHR (0.60) CYP3A4AHRCYP1B1MEN1HTT
SCHEMBL463716 0.81 HSD17B10 (0.62) ESR2ESR1TSHRHSD17B10HSD17B1
SCHEMBL4456281 0.79 ESR2 (0.65) ESR2ESR1TSHRHSD17B10HSD17B1
SCHEMBL29911026 0.78 ESR2 (0.77) ESR2ESR1TSHRHSD17B10HSD17B1
SCHEMBL28202577 0.78 ESR2 (0.77) ESR2ESR1TSHRHSD17B10HSD17B1
SCHEMBL278316 0.78 ESR2 (0.77) ESR2ESR1TSHRHSD17B10HSD17B1
SCHEMBL3342313 0.76 AHR (0.68) ESR2ESR1TSHRHSD17B10HSD17B1
SCHEMBL29373291 0.76 AHR (0.68) ESR2ESR1TSHRHSD17B10HSD17B1
SCHEMBL23827190 0.75 AHR (0.67) TSHRHSD17B10HPGDCYP3A4MAPK1

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-8653119-B2 Methods for treating transthyretin amyloid diseases THE SCRIPPS RESEARCH INSTITUTE (US) 2014-02-18 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 ESR2 4175/4885ESR1 4850/4885TSHR 1892/4885
US-20100120919-A1 METHODS FOR TREATING TRANSTHYRETIN AMYLOID DISEASES TTR, TTPA, PRNP ESR2 4175/4885ESR1 4850/4885TSHR 1892/4885

“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.