SCHEMBL17833406

SCHEMBL17833406

COC(=O)c1ccccc1NC(CCC=C(C)CCCC(C)(C)O)Nc1ccccc1C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 8/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 0.39
GLA P06280 1/20 0.38
ALDH1A1 P00352 7/20 0.37
HSD17B10 Q99714 4/20 0.37
MAPT P10636 2/20 0.36
ALOX15 P16050 1/20 0.36
GAA P10253 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
ALOX12 P18054 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL17822460 1.00 KMT2A (0.39) KMT2AKDM4EPOLBATMGLA
SCHEMBL17822448 0.89 GGPS1 (0.42) KMT2AKDM4EPOLBALDH1A1HSD17B10
SCHEMBL17822449 0.89 GGPS1 (0.42) KMT2AKDM4EPOLBALDH1A1HSD17B10
SCHEMBL17822457 0.79 KMT2A (0.43) KMT2AKDM4EPOLBATMGLA
SCHEMBL17822456 0.79 KMT2A (0.43) KMT2AKDM4EPOLBATMGLA
SCHEMBL30754347 0.70 KDM4E (0.45) KMT2AKDM4EPOLBATMGLA
SCHEMBL21802957 0.70 KDM4E (0.45) KMT2AKDM4EPOLBATMGLA
SCHEMBL2636852 0.70 KDM4E (0.45) KMT2AKDM4EPOLBATMGLA
SCHEMBL31354820 0.70 KDM4E (0.56) KMT2AKDM4EPOLBATMGLA
SCHEMBL15702136 0.66 GGPS1 (0.51) KMT2AKDM4EPOLBATMGLA

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-20170362533-A1 ENAMINE AND/OR AMINAL FRAGRANCE PRECURSORS DERIVED FROM (E/Z)-9-HYDROXY-5,9-DI-METHYLDEC-4-ENAL GIVAUDAN S.A. (CH) 2017-12-21 US disclosed
WO-2016091899-A1 ENAMINE AND/OR AMINAL FRAGANCE PRECURSORS DERIVED FROM (E/Z)-9-HYDROXY-5,9-DIMETHYLDEC-4-ENAL GIVAUDAN SA (CH) 2016-06-16 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-20170362533-A1 ENAMINE AND/OR AMINAL FRAGRANCE PRECURSORS DERIVED FROM (E/Z)-9-HYDROXY-5,9-DI-METHYLDEC-4-ENAL HNMT, DRD5, H1-5 KMT2A 597/4885KDM4E 198/4885POLB 1693/4885

“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.