SCHEMBL3746896

SCHEMBL3746896

CC(NCc1cccc(C#CC(C)(C)C(=O)O)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
PTGES O14684 7/20 0.41
ACACB O00763 2/20 0.41
APAF1 O14727 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL13040781 0.87 MEN1 (0.44) CASRMEN1KMT2ASMN1; SMN2PTGES
SCHEMBL3734778 0.87 CASR (0.46) CASRMEN1KMT2ASMN1; SMN2PTGES
SCHEMBL3734782 0.87 CASR (0.46) CASRMEN1KMT2ASMN1; SMN2PTGES
SCHEMBL3729564 0.85 CASR (0.43) CASR
SCHEMBL3731974 0.85 CASR (0.43) CASR
SCHEMBL3729411 0.82 CASR (0.54) CASRMEN1KMT2ASMN1; SMN2PTGES
SCHEMBL3731216 0.81 HTT (0.40) MEN1KMT2ASMN1; SMN2ACACBAPAF1
SCHEMBL3991227 0.79 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL3743961 0.78 CASR (0.61) CASRMEN1KMT2APTGES
SCHEMBL3734417 0.77 MEN1 (0.48) CASRMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US claimed
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R CASR 5/4885MEN1 202/4885KMT2A 4121/4885

“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.