SCHEMBL17307997

SCHEMBL17307997

OC=CC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.38
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA5A P35218 1/20 0.37
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
ESR1 P03372 3/20 0.33
ESR2 Q92731 2/20 0.33
CFTR P13569 1/20 0.33
USP2 O75604 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL19305264 0.76 TSHR (0.40) HSP90AA1CA2CA4CA5AALOX15
SCHEMBL19305261 0.76 TSHR (0.40) HSP90AA1CA2CA4CA5AALOX15
SCHEMBL23805159 0.76 HCAR2 (0.43) HSP90AA1CA2CA4CA5AALOX15
SCHEMBL6942354 0.74 ALDH1A1 (0.43) HSP90AA1CA2CA4CA5AALOX15
SCHEMBL6942352 0.74 ALDH1A1 (0.43) HSP90AA1CA2CA4CA5AALOX15
SCHEMBL4968872 0.74 CA2 (0.43) HSP90AA1CA2CA4CA5AALOX15
SCHEMBL13422202 0.73 TDP1 (0.47) HSP90AA1CA2CA4CA5AALOX15
SCHEMBL12257188 0.71 HSP90AA1 (0.32) HSP90AA1
SCHEMBL7196779 0.70 HSP90AA1 (0.41) HSP90AA1CA2CA4CA5AALOX15
SCHEMBL7153777 0.70 TSHR (0.43) HSP90AA1CA2CA4CA5AALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. 2015-12-03 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-20150344407-A1 FENDILINE DERIVATIVES AND METHODS OF USE THEREOF KRAS, RASSF5, RASSF2 HSP90AA1 4468/4885CA2 3956/4885CA4 3867/4885

“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.