SCHEMBL1145673

SCHEMBL1145673

OCC1=CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
EPHX1 P07099 1/20 0.40
PKM P14618 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
USP2 O75604 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL11065315 1.00 CXCR3 (0.42) CXCR3SMN1; SMN2ALOX15ALDH1A1NPC1
SCHEMBL10882411 1.00 CXCR3 (0.42) CXCR3SMN1; SMN2ALOX15ALDH1A1NPC1
SCHEMBL1145650 1.00
SCHEMBL316975 0.97
SCHEMBL880190 0.90
Alcohol SCHEMBL10859711 0.83 ALDH1A1 (0.37) CXCR3SMN1; SMN2ALOX15ALDH1A1NPC1
SCHEMBL11316288 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALOX15ALDH1A1NPC1RAB9A
SCHEMBL11316294 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALOX15ALDH1A1NPC1RAB9A
Cyclopentene SCHEMBL17472538 0.81 ALDH1A1 (0.32) SMN1; SMN2ALOX15ALDH1A1NPC1RAB9A
SCHEMBL10877304 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALOX15ALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060128575-A1 Traction fluid composition GEIGER RENE 2006-06-15 US claimed
WO-2004061057-A1 TRACTION FLUID COMPOSITION DOW GLOBAL TECHNOLOGIES INC. (US) 2004-07-22 WO claimed
US-7888374-B2 Inhibitors of c-jun N-terminal kinases ABBOTT LABORATORIES (US) 2011-02-15 US disclosed
WO-2006083673-A2 PYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF C-JUN N-TERMINAL KINASES ABBOTT LABORATORIES (US) 2006-08-10 WO disclosed
US-20060173050-A1 Inhibitors of c-Jun N-terminal kinases ABBVIE INC. 2006-08-03 US disclosed
US-20060128575-A1 Traction fluid composition GEIGER RENE 2006-06-15 US disclosed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 US disclosed
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists KOSOGOF CHRISTI (US) 2005-08-04 US disclosed
WO-2005030734-A1 DIAMINOPYRIMIDINE DERIVATIVES AS SELECTIVE GROWTH HORMONE SECRECTGOGUE RECEPTOR (GHS-R) ANTAGONISTS ABBOTT LABORATORIES (US) 2005-04-07 WO disclosed
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators ABBOTT LABORATORIES 2005-03-31 US disclosed
WO-2004061057-A1 TRACTION FLUID COMPOSITION DOW GLOBAL TECHNOLOGIES INC. (US) 2004-07-22 WO disclosed
US-4487972-A CATALYTIC HYDROFORMYLATION OF OLEFINS MOBIL OIL CORPORATION (US) 1984-12-11 US disclosed
US-4098727-A CATALYSTS FOR REACTION OF OLEFINS WITH HYDROGEN AND CARBON MONOXIDE TO FORM ALDEHYDES AND ALCOHOLS MOBIL OIL CORPORATION (US) 1978-07-04 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-20060173050-A1 Inhibitors of c-Jun N-terminal kinases MAPKAPK3, MAP3K3, MAPK3 CXCR3 2899/4885SMN1; SMN2 3026/4885ALOX15 2776/4885
US-20050171131-A1 Diaminopyrimidine derivatives as growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CXCR3 3711/4885SMN1; SMN2 2223/4885ALOX15 2958/4885
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 CXCR3 3649/4885SMN1; SMN2 2580/4885ALOX15 2903/4885
US-20050070712-A1 Pyrimidine derivatives as ghrelin receptor modulators GPR119, GIPR, GCGR CXCR3 1015/4885SMN1; SMN2 2298/4885ALOX15 1434/4885

“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.