SCHEMBL4812602

SCHEMBL4812602

CCCCCC1CC1CC1CC1CC1CC1C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
ALDH1A1 P00352 1/20 0.35
NOS1 P29475 3/20 0.35
NOS2 P35228 3/20 0.35
NOS3 P29474 2/20 0.35
EPHX1 P07099 1/20 0.33
PRKCA P17252 4/20 0.31
PRKCE Q02156 4/20 0.31
FUCA1 P04066 8/20 0.30

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
SCHEMBL4813300 1.00 ALOX5 (0.48) ALOX5ALDH1A1NOS1NOS2NOS3
SCHEMBL176362 0.84
SCHEMBL726033 0.83 ALOX5 (0.61) ALOX5ALDH1A1NOS1NOS2NOS3
SCHEMBL1437889 0.81 ALOX5 (0.50) ALOX5ALDH1A1NOS1NOS2NOS3
SCHEMBL1573174 0.81 ALOX5 (0.50) ALOX5ALDH1A1NOS1NOS2NOS3
SCHEMBL4557504 0.81 ALOX5 (0.50) ALOX5ALDH1A1NOS1NOS2NOS3
SCHEMBL29971764 0.81 ALOX5 (0.65) ALOX5ALDH1A1EPHX1
SCHEMBL18657390 0.81 ALOX5 (0.65) ALOX5ALDH1A1EPHX1
SCHEMBL18685663 0.81 ALOX5 (0.65) ALOX5ALDH1A1EPHX1
SCHEMBL15259506 0.81 ALOX5 (0.52) ALOX5

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 ALOX5 287/4885ALDH1A1 1047/4885NOS1 394/4885

“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.