SCHEMBL7068652

SCHEMBL7068652

CCOc1cc(O)ccc1S(=O)(=O)c1ccc(O)cc1OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.45
ALDH1A1 P00352 2/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HIF1A Q16665 1/20 0.39
LTA4H P09960 1/20 0.39
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
CAPN1 P07384 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA14 Q9ULX7 3/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10716234 0.90 GAA (0.44) TRPV4ALDH1A1LTA4HESR2TSHR
SCHEMBL11515934 0.79 TSHR (0.47) TRPV4ALDH1A1HPGDLTA4HESR2
SCHEMBL562846 0.78 NR5A1 (0.45) MAPTTSHRHTTTDP1
SCHEMBL7908188 0.77 HSD17B10 (0.53) ALDH1A1LMNAHPGDHSD17B10HIF1A
SCHEMBL51702 0.77 LTA4H (0.50) LTA4HCA12CA1CA2CA9
SCHEMBL3026188 0.77 CALM1 (0.51) ALDH1A1LMNAHPGDHSD17B10LTA4H
SCHEMBL11680067 0.76 ALDH1A1 (0.47) ALDH1A1LMNAHPGDHSD17B10LTA4H
SCHEMBL6445153 0.76 ALDH1A1 (0.41) TRPV4ALDH1A1LMNAHPGDHSD17B10
SCHEMBL9662377 0.76 PDIA6 (0.48) ALDH1A1HPGDLTA4HMAPTCA12
Butane SCHEMBL29091441 0.76 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10LTA4HESR1

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-9045400-B2 Fluorinated aromatic bis(acyl)-containing compounds and polyesters prepared therefrom 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-02 US disclosed
US-20140163250-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-06-12 US disclosed
EP-0989324-B1 Power transmission belt BANDO CHEMICAL IND (JP) 2003-06-04 EP disclosed
EP-0989324-A1 Power transmission belt BANDO CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-29 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 (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-20140163250-A1 FLUORINATED AROMATIC BIS(ACYL)-CONTAINING COMPOUNDS AND POLYESTERS PREPARED THEREFROM NOTUM, FFAR1, FFAR2 TRPV4 2629/4885ALDH1A1 1934/4885LMNA 2244/4885

“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.