SCHEMBL13420641

SCHEMBL13420641

COC(=O)C/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
FNTA P49354 6/20 0.54
FNTB P49356 6/20 0.54
ALDH1A1 P00352 2/20 0.53
ALOX15 P16050 2/20 0.53
MAPT P10636 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 1/20 0.52
UGT1A1 P22309 1/20 0.52
POLB P06746 1/20 0.52
SQLE Q14534 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ATM Q13315 1/20 0.48

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
SCHEMBL17182998 1.00 KMT2A (0.57) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL17182999 1.00 KMT2A (0.57) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL9580063 0.98 ALOX15 (0.55) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL9580059 0.98 ALOX15 (0.55) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL17554314 0.92 KMT2A (0.61) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL5321097 0.92 KMT2A (0.61) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL10916255 0.92 KMT2A (0.61) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL10916246 0.92 KMT2A (0.61) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL28052471 0.92 KMT2A (0.61) KMT2AFNTAFNTBALDH1A1ALOX15
SCHEMBL11215304 0.92 KMT2A (0.61) KMT2AFNTAFNTBALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2948245-B1 PROCESS FOR THE PREPARATION OF 4-METHYLPENT-3-EN-1-OL DERIVATIVES FIRMENICH & CIE (CH) 2018-05-30 EP disclosed
EP-2922813-B1 HYDROCARBONYLATION OR METHOXYCARBONYLATION OF 1,3-DIENE DERIVATIVES WITH PALLADIUM COMPLEX FIRMENICH & CIE (CH) 2016-10-12 EP disclosed
US-9381507-B2 Process for the preparation of 4-methylpent-3-en-1-ol derivatives FIRMENICH SA (CH) 2016-07-05 US disclosed
US-9376365-B2 Hydrocarbonylation or methoxycarbonylation of 1,3-diene derivatives with palladium complex FIRMENICH SA (CH) 2016-06-28 US disclosed
US-20160067208-A1 ADHESION PREVENTING AGENT FARNEX INCORPORATED (JP) 2016-03-10 US disclosed
US-20150353463-A1 PROCESS FOR THE PREPARATION OF 4-METHYLPENT-3-EN-1-OL DERIVATIVES FIRMENICH SA (CH) 2015-12-10 US disclosed
US-20150299085-A1 HYDROCARBONYLATION OR METHOXYCARBONYLATION OF 1,3-DIENE DERIVATIVES WITH PALLADIUM COMPLEX FIRMENICH SA (CH) 2015-10-22 US disclosed
US-7683190-B2 Process for the preparation of optically-active compounds GIVAUDAN SA (CH) 2010-03-23 US disclosed
US-20080064886-A1 Process for the Preparation of Optically-Active Compounds GIVAUDAN SA (CH) 2008-03-13 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 (4 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-20150353463-A1 PROCESS FOR THE PREPARATION OF 4-METHYLPENT-3-EN-1-OL DERIVATIVES CYP4A11, CYP4B1, CYP51A1 KMT2A 391/4885FNTA 129/4885FNTB 595/4885
US-20150299085-A1 HYDROCARBONYLATION OR METHOXYCARBONYLATION OF 1,3-DIENE DERIVATIVES WITH PALLADIUM COMPLEX PHOSPHO1, PDCD1LG2, PDK2 KMT2A 555/4885FNTA 1235/4885FNTB 928/4885
US-20080064886-A1 Process for the Preparation of Optically-Active Compounds ADH1C, ADH1A, CYP2E1 KMT2A 4273/4885FNTA 228/4885FNTB 88/4885
US-20160067208-A1 ADHESION PREVENTING AGENT EPCAM, ICAM1, VCAM1 KMT2A 2693/4885FNTA 1762/4885FNTB 1308/4885

“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.