SCHEMBL5836360

SCHEMBL5836360

CCn1c(=O)n(CC)c2cc(C=O)ccc21

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
GFER P55789 1/20 0.57
PTGER4 P35408 4/20 0.54
CYP1A2 P05177 1/20 0.53
HPD P32754 2/20 0.43
CYP2A6 P11509 2/20 0.42
MAPK14 Q16539 4/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29794143 0.78 PTGER4 (0.81) ALDH1A1KDM4EMAPTPTGER4CYP2A6
SCHEMBL4832600 0.78 PTGER4 (0.81) ALDH1A1KDM4EMAPTPTGER4CYP2A6
SCHEMBL18104492 0.78 PTGER4 (0.61) ALDH1A1KDM4EMAPTPTGER4CYP2A6
SCHEMBL8487131 0.78 KDM4E (0.49) ALDH1A1KDM4EGAAMAPTGFER
SCHEMBL13233782 0.74 ALDH1A1 (0.96) ALDH1A1KDM4EGAAMAPTGFER
SCHEMBL29209040 0.74 ALDH1A1 (0.61) ALDH1A1KDM4EGAAMAPTGFER
SCHEMBL19693877 0.73 CYP1A2 (0.57) ALDH1A1MAPTPTGER4CYP1A2CYP2A6
SCHEMBL20529371 0.73 CYP1A2 (0.57) PTGER4CYP1A2CYP2A6LMNATSHR
SCHEMBL29519427 0.73 CYP1A2 (0.57) ALDH1A1MAPTPTGER4CYP1A2CYP2A6
SCHEMBL5469978 0.73 PTGER4 (0.46) KDM4EGAAMAPTPTGER4CYP2A6

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-1203766-B1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC (US) 2012-02-29 EP disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 US disclosed
US-7056918-B2 Benzimidazole anti-inflammatory compounds PFIZER, INC. (US) 2006-06-06 US disclosed
EP-1370557-B1 BENZIMIDAZOLE ANTI-INFLAMMATORY COMPOUNDS PFIZER PROD INC (US) 2005-11-16 EP disclosed
US-20030092749-A1 Novel benzimidazole anti-inflammatory compounds PFIZER INC. 2003-05-15 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 (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-20030092749-A1 Novel benzimidazole anti-inflammatory compounds MAPK1, JAK1, CNKSR1 ALDH1A1 1806/4885KDM4E 4128/4885GAA 4594/4885

“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.