SCHEMBL3654352

SCHEMBL3654352

CC/C(=C(/C(=O)O)c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
BCL2L1 Q07817 1/20 0.42
BAD Q92934 1/20 0.42
PTPN1 P18031 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ESR1 P03372 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HIF1A Q16665 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ESR2 Q92731 2/20 0.41
MEN1 O00255 1/20 0.41
NR1I2 O75469 1/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL3654349 1.00 HTR7 (0.44) HTR7CES2CES1BCL2L1BAD
SCHEMBL3654354 1.00 HTR7 (0.44) HTR7CES2CES1BCL2L1BAD
SCHEMBL1982008 0.82 CES2 (0.50) CES2CES1ESR1SMN1; SMN2ESR2
SCHEMBL1982010 0.82 CES2 (0.50) CES2CES1ESR1SMN1; SMN2ESR2
SCHEMBL3864914 0.79 ESR1 (0.64) CES2ESR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3864922 0.79 ESR1 (0.64) CES2ESR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL3864916 0.79 ESR1 (0.64) CES2ESR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL4475097 0.76 CES2 (0.50) HTR7CES2CES1BCL2L1BAD
SCHEMBL1695621 0.76 ESR1 (0.53) NPC1RAB9AESR1ALDH1A1KMT2A
SCHEMBL1695617 0.75 ESR1 (0.52) ESR1ALDH1A1KMT2ASMN1; SMN2HIF1A

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-8236987-B2 Selective estrogen receptor modulator compositions and methods for treatment of disease THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-07 US disclosed
EP-2227450-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE Oregon Health&Science University (US) 2010-09-15 EP disclosed
US-20090124698-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2009-05-14 US disclosed
WO-2009062082-A2 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2009-05-14 WO 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-20090124698-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE ESR1, GPER1, ESR2 HTR7 474/4885CES2 1405/4885CES1 455/4885

“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.