SCHEMBL1343645

SCHEMBL1343645

NCCCc1c(C(=O)O)[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.64
KDM4E B2RXH2 5/20 0.56
MAPT P10636 4/20 0.56
HPGD P15428 3/20 0.56
HSD17B10 Q99714 3/20 0.56
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.56
MCL1 Q07820 11/20 0.55
LTA4H P09960 1/20 0.53
PLA2G2A P14555 1/20 0.53
BCL2 P10415 1/20 0.52
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
SRD5A2 P31213 1/20 0.50

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
Hydrochloric Acid SCHEMBL1345619 0.99 TRPM8 (0.62) TRPM8KDM4EMAPTHPGDHSD17B10
SCHEMBL18222533 0.93 TRPM8 (0.69) TRPM8KDM4EMAPTHPGDHSD17B10
SCHEMBL12133099 0.86 TRPM8 (0.57) TRPM8KDM4EMAPTHPGDHSD17B10
SCHEMBL16923924 0.83 TRPM8 (0.64) TRPM8KDM4EMAPTHPGDHSD17B10
SCHEMBL1345727 0.82 KDM4E (0.73) KDM4EMAPTHPGDHSD17B10MCL1
SCHEMBL5504619 0.82 KDM4E (0.69) TRPM8KDM4EMAPTHPGDHSD17B10
SCHEMBL18235616 0.82 TRPM8 (0.66) TRPM8KDM4EMAPTHPGDHSD17B10
Hydrochloric Acid SCHEMBL1343869 0.81 ALDH1A1 (0.72) KDM4EMAPTHPGDHSD17B10MCL1
Hydrochloric Acid SCHEMBL18222557 0.81 TRPM8 (0.65) TRPM8KDM4EMAPTHPGDHSD17B10
SCHEMBL1345630 0.80 KDM4E (0.53) TRPM8KDM4EMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-8063094-B2 Anti-cytokine heterocyclic compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-22 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
US-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-03 US disclosed
WO-2008098096-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 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-20110053955-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS MAPKAPK2, IL2, MAP3K2 TRPM8 2141/4885KDM4E 2027/4885MAPT 2259/4885

“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.