SCHEMBL4803790

SCHEMBL4803790

CCOC(=O)CCCCCCCC1CC1CC1CC1CC1CC1CC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
USP2 O75604 1/20 0.49
ALOX5 P09917 1/20 0.44
CYP3A4 P08684 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 1/20 0.42
EPHX2 P34913 10/20 0.42
PRKCA P17252 2/20 0.41
PRKCE Q02156 2/20 0.41
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
DGKA P23743 1/20 0.39
GAA P10253 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
SCHEMBL7106951 1.00 ALDH1A1 (0.49) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL14940598 0.91 ALOX5 (0.55) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL15926259 0.89 CYP1A2 (0.48) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL22927612 0.86 ALOX5 (0.45) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL14952240 0.86 ALOX5 (0.45) ALDH1A1TDP1ALOX5TSHREPHX2
SCHEMBL14944798 0.86 DGKA (0.53) ALOX5TSHREPHX2PRKCAPRKCE
SCHEMBL10084982 0.86 ALOX5 (0.60) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL11045151 0.86 ALOX5 (0.60) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL11045194 0.86 ALOX5 (0.60) ALDH1A1ALOX15TDP1USP2ALOX5
SCHEMBL11045153 0.86 ALOX5 (0.60) ALDH1A1ALOX15TDP1USP2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468389-B2 Carboxylic acid compound having cyclopropane ring TOX K.K. (JP) 2008-12-23 US disclosed
EP-1343746-B1 USE OF CARBOXYLIC ACID COMPOUND HAVING CYCLOPROPANE RING AS MEDICAMENT TOX KK (JP) 2006-06-14 EP disclosed
US-20050075393-A1 Carboxylic acid compound cyclopropane ring NISHIZAKI BIOINFORMATION RESEARCH INSTITUTE (JP) 2005-04-07 US disclosed
EP-1343746-A1 CARBOXYLIC ACID COMPOUND HAVING CYCLOPROPANE RING FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-09-17 EP disclosed
WO-2002050013-A1 CARBOXYLIC ACID COMPOUND HAVING CYCLOPROPANE RING FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-06-27 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-20050075393-A1 Carboxylic acid compound cyclopropane ring SLC1A2, GRIN1, BDNF ALDH1A1 1047/4885ALOX15 365/4885TDP1 956/4885

“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.