SCHEMBL4185050

SCHEMBL4185050

CCCCCCCCCCCCCCCc1ccc(C(C)=O)cc1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRA P10827 9/20 0.70
THRB P10828 9/20 0.70
RARB P10826 5/20 0.67
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 1/20 0.67
RARA P10276 1/20 0.67
MAPT P10636 1/20 0.67
MTOR P42345 1/20 0.67
HSD17B10 Q99714 1/20 0.62
PLA2G1B P04054 3/20 0.61
ATG4B Q9Y4P1 3/20 0.61

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
SCHEMBL962497 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL28455281 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL12457863 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL28733046 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL965453 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL8383207 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL499485 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL9997622 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL965858 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A
SCHEMBL1133493 1.00 THRA (0.70) THRATHRBRARBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076314-A1 Bisphenol compound and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2009-03-19 US claimed
US-20070073090-A1 Bisphenol compound and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2007-03-29 US claimed
US-20090076314-A1 Bisphenol compound and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2009-03-19 US disclosed
US-20090076314-A1 Bisphenol compound and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2009-03-19 US disclosed
US-7446234-B2 Bisphenol compound and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-11-04 US disclosed
US-7446234-B2 Bisphenol compound and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2008-11-04 US disclosed
US-20070073090-A1 Bisphenol compound and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2007-03-29 US disclosed
US-20070073090-A1 Bisphenol compound and process for preparation thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH 2007-03-29 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-20090076314-A1 Bisphenol compound and process for preparation thereof DOT1L, ACSL3, ASH1L THRA 2823/4885THRB 2455/4885RARB 2321/4885
US-20070073090-A1 Bisphenol compound and process for preparation thereof DOT1L, ACSL3, ASH1L THRA 2823/4885THRB 2455/4885RARB 2321/4885

“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.