SCHEMBL6438538

SCHEMBL6438538

O=C(/C=C/c1ccc(C2=C(c3ccccc3)CCc3ccccc32)cc1)NS(=O)(=O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.47
KDM1A O60341 2/20 0.43
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
HDAC2 Q92769 4/20 0.40
POLB P06746 1/20 0.38
HDAC4 P56524 3/20 0.37
HDAC6 Q9UBN7 3/20 0.37
HDAC8 Q9BY41 4/20 0.37
HDAC3 O15379 3/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
BACE1 P56817 1/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36

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
SCHEMBL6438541 1.00 HDAC1 (0.47) HDAC1KDM1AESR1ESR2HDAC2
SCHEMBL6437026 0.94 HDAC1 (0.45) HDAC1KDM1AESR1ESR2HDAC2
SCHEMBL6437030 0.94 HDAC1 (0.45) HDAC1KDM1AESR1ESR2HDAC2
SCHEMBL6438282 0.88 ESR1 (0.42) HDAC1KDM1AESR1ESR2POLB
SCHEMBL6438284 0.88 ESR1 (0.42) HDAC1KDM1AESR1ESR2POLB
SCHEMBL6438313 0.86 ESR1 (0.44) HDAC1KDM1AESR1ESR2HDAC2
SCHEMBL5113727 0.86 ESR1 (0.44) HDAC1KDM1AESR1ESR2HDAC2
SCHEMBL6439435 0.86 HDAC1 (0.47) HDAC1KDM1AESR1ESR2HDAC2
SCHEMBL6439438 0.86 HDAC1 (0.47) HDAC1KDM1AESR1ESR2HDAC2
SCHEMBL14289701 0.81 ESR1 (0.39) HDAC1KDM1AESR1ESR2HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US claimed
EP-1417169-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS Bristol-Myers Squibb Pharma Company (US) 2004-05-12 EP claimed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 US claimed
WO-2003016270-A2 SELECTIVE ESTROGEN RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2003-02-27 WO claimed
US-6927224-B2 Selective estrogen receptor modulators BRISTOL MYERS SQUIBB COMPANY (US) 2005-08-09 US disclosed
US-20030105148-A1 Selective estrogen receptor modulators BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-06-05 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-20030105148-A1 Selective estrogen receptor modulators ESR1, GPER1, PTGIR HDAC1 1964/4885KDM1A 1354/4885ESR1 1/4885

“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.