SCHEMBL1750679

SCHEMBL1750679

CCOC(=O)c1[nH]cc(C)c1-c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
HPGD P15428 3/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 3/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43
TUBB1 Q9H4B7 1/20 0.43
TARBP2 Q15633 1/20 0.43

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
SCHEMBL15497049 0.88 TP53 (0.52) ALDH1A1HPGDRAB9AKDM4ETARBP2
SCHEMBL15497074 0.88 POLB (0.46) ALDH1A1HPGDRAB9AKDM4ETUBB4A
SCHEMBL1126789 0.88 ALDH1A1 (0.52) ALDH1A1HPGDRAB9AKDM4EGAA
SCHEMBL1082558 0.79 GSK3B (0.38) ALDH1A1RAB9AKDM4ETARBP2GAA
SCHEMBL28666489 0.78 GAA (0.45) ALDH1A1HPGDRAB9AGAAKMT2A
Toluene SCHEMBL27677806 0.76 TSHR (0.46) ALDH1A1HPGDRAB9AKDM4ETUBB4A
SCHEMBL5732191 0.75 PRKCZ (0.49) ALDH1A1HPGDRAB9AKDM4EGAA
SCHEMBL23112968 0.75 RAB9A (0.50) ALDH1A1HPGDRAB9AKDM4ENPC1
SCHEMBL4107701 0.75 CYP1A2 (0.52) ALDH1A1HPGDRAB9AKDM4EKMT2A
SCHEMBL9591700 0.74 ALDH1A1 (0.50) ALDH1A1HPGDRAB9AKDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968591-B2 1,3-disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their use in medicaments GRUENENTHAL GMBH (DE) 2011-06-28 US disclosed
US-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments GRUENENTHAL GMBH (DE) 2009-05-28 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-20090137573-A1 1,3-Disubstituted 4-methyl-1H-pyrrole-2-carboxamides and their Use in Medicaments OPRL1, TPH1, OPRK1 ALDH1A1 2168/4885HPGD 936/4885RAB9A 4091/4885

“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.