SCHEMBL187154

SCHEMBL187154

C=CCOC(=O)C(=O)C1CCCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
MAPK1 P28482 1/20 0.38
GAA P10253 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ERN1 O75460 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL6475425 0.84 MCL1 (0.41) MCL1MAPK1GAAALDH1A1CYP2D6
SCHEMBL181879 0.80 CYP2D6 (0.48) MCL1MAPK1GAAALDH1A1CYP2D6
SCHEMBL2721962 0.80 TSHR (0.36) MCL1MAPK1GAAALDH1A1NPSR1
SCHEMBL22468826 0.80 TSHR (0.36) MCL1MAPK1GAAALDH1A1NPSR1
SCHEMBL29529763 0.80 TSHR (0.36) MCL1MAPK1GAAALDH1A1NPSR1
SCHEMBL1149626 0.78 CYP2D6 (0.47) MCL1MAPK1GAAALDH1A1CYP2D6
SCHEMBL10080626 0.78 CYP2D6 (0.47) MCL1MAPK1GAAALDH1A1CYP2D6
SCHEMBL5109918 0.74 CYP2D6 (0.42) MCL1MAPK1GAAALDH1A1CYP2D6
SCHEMBL11030552 0.74 CES2 (0.46) GAAALDH1A1NPSR1CYP3A4MAPT
SCHEMBL1005232 0.74 MAPK1 (0.51) MCL1MAPK1ALDH1A1CYP2D6RECQL

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
EP-1735286-B1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2012-01-04 EP disclosed
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS LAGU BHARAT 2009-04-16 US disclosed
US-7452997-B2 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2008-11-18 US disclosed
EP-1735286-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-27 EP disclosed
US-20050228034-A1 Tetrahydro-indazole cannabinoid modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 US disclosed
WO-2005095353-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-10-13 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 (2 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-20050228034-A1 Tetrahydro-indazole cannabinoid modulators CNR2, CNR1, GPR18 MCL1 1606/4885MAPK1 2032/4885GAA 4240/4885
US-20090099143-A1 TETRAHYDRO-INDAZOLE CANNABINOID MODULATORS CNR2, CNR1, GPR18 MCL1 1606/4885MAPK1 2032/4885GAA 4240/4885

“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.