SCHEMBL23458530

SCHEMBL23458530

CCC(=CCC#N)CCC=C(C)CCC=C(C)C

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.52
SQLE Q14534 7/20 0.50
FNTA P49354 2/20 0.48
FNTB P49356 2/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
ALDH1A1 P00352 1/20 0.47
UGT1A1 P22309 1/20 0.47
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL23458529 1.00 KMT2A (0.52) KMT2ASQLEFNTAFNTBMAPT
SCHEMBL8940810 0.86 KMT2A (0.64) KMT2ASQLEFNTAFNTBMAPT
SCHEMBL1105232 0.86 KMT2A (0.64) KMT2ASQLEFNTAFNTBMAPT
SCHEMBL4307163 0.84 KMT2A (0.60) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL806716 0.84 KMT2A (0.60) KMT2ASQLEMAPTMEN1CYP3A4
SCHEMBL28814759 0.80 KMT2A (0.45) KMT2ASQLEFNTAFNTBMAPT
SCHEMBL14825999 0.79 KMT2A (0.70) KMT2ASQLEFNTAFNTBMAPT
SCHEMBL9474305 0.79 KMT2A (0.70) KMT2ASQLEFNTAFNTBMAPT
SCHEMBL9474308 0.79 KMT2A (0.70) KMT2ASQLEFNTAFNTBMAPT
SCHEMBL9474310 0.79 KMT2A (0.70) KMT2ASQLEFNTAFNTBMAPT

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-11965195-B2 Enzyme mediated process GIVAUDAN SA (CH) 2024-04-23 US disclosed
US-20230009254-A1 ENZYME MEDIATED PROCESS GIVAUDAN SA (CH) 2023-01-12 US disclosed
EP-4069858-A1 ENZYME MEDIATED PROCESS Givaudan SA (CH) 2022-10-12 EP disclosed
WO-2021110858-A1 ENZYME MEDIATED PROCESS GIVAUDAN SA (CH) 2021-06-10 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 (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-11965195-B2 Enzyme mediated process HPD, DNPH1, ESD KMT2A 1439/4885SQLE 183/4885FNTA 1187/4885
US-20230009254-A1 ENZYME MEDIATED PROCESS HPD, DNPH1, ESD KMT2A 1439/4885SQLE 183/4885FNTA 1187/4885

“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.