SCHEMBL5994366

SCHEMBL5994366

C=CCOC(=O)[C@@H](N)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.51
ALDH1A1 P00352 4/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP2C19 P33261 1/20 0.46
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CASP1 P29466 4/20 0.40
RHOA P61586 1/20 0.39
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 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
SCHEMBL5994364 1.00 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL14619857 1.00 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL8870031 0.85 ANPEP (0.46) CYP3A4ALDH1A1TSHRHSD17B10PKM
SCHEMBL27776733 0.84 CYP2D6 (0.43) CYP2C19PKMSMN1; SMN2NPSR1CYP1A2
SCHEMBL9230354 0.82 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL2879779 0.82 CYP3A4 (0.59) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL6578433 0.82 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
Hydrochloric Acid SCHEMBL29096620 0.82 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL9274935 0.82 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL6578431 0.82 CYP3A4 (0.47) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987263-B2 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-03-24 US disclosed
CN-100582085-C Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RES & DEV 2010-01-20 CN disclosed
US-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2006-08-03 US disclosed
CN-1703394-A Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents YEDA RES & DEV (IL) 2005-11-30 CN disclosed
EP-1551495-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2005-07-13 EP disclosed
WO-2004032824-A2 BASIC ESTERS OF FATTY ALCOHOLS AND THEIR USE AS ANTI-INFLAMMATORY OR IMMUNOMODULATORY AGENTS YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2004-04-22 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-20060173053-A1 Basic esters of fatty alcohols and their use as anti-inflammatory or immunomodulatory agents ALOX12, ALOX15, ALOX15B CYP3A4 607/4885ALDH1A1 447/4885TSHR 1426/4885

“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.