SCHEMBL3734778

SCHEMBL3734778

C[C@@H](NCc1cccc(C#CC(C)(C)O)c1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CASR P41180 7/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
ACACB O00763 1/20 0.39
PTGES O14684 2/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL3734782 1.00 CASR (0.46) CASRSMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3746896 0.87 CASR (0.43) CASRSMN1; SMN2MEN1KMT2AACACB
SCHEMBL3729411 0.85 CASR (0.54) CASRSMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3735500 0.82 CASR (0.46) CASRPOLBLMNA
SCHEMBL3735498 0.82 CASR (0.46) CASRPOLBLMNA
SCHEMBL13040781 0.81 MEN1 (0.44) CASRSMN1; SMN2MEN1KMT2ATDP1
SCHEMBL3733662 0.80 HTT (0.47) CASRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL3733659 0.80 HTT (0.47) CASRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL3734417 0.80 MEN1 (0.48) CASRSMN1; SMN2MEN1KMT2ATDP1
SCHEMBL13077816 0.78 CASR (0.51) CASRSMN1; SMN2MEN1KMT2APOLB

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-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
US-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-11-04 US disclosed
WO-2008019690-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2008-02-21 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-20100279936-A1 SUBSTITUTED ACETYLENIC COMPOUNDS USEFUL FOR THE TREATMENT OF DISEASES C1R, C3AR1, PTH1R CASR 5/4885SMN1; SMN2 4419/4885MEN1 202/4885

“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.