SCHEMBL6493537

SCHEMBL6493537

CC(C)n1cc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 7/20 0.45
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.38
CYP2C9 P11712 4/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP7 P09237 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
PTGDR Q13258 1/20 0.37
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
TGFBR1 P36897 1/20 0.36
TGFBR2 P37173 1/20 0.36
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36

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
SCHEMBL5731755 0.81 KDM4E (0.48) HMGCR
SCHEMBL5731708 0.80 ALDH1A1 (0.50) CYP2C9
SCHEMBL10510636 0.78 HMGCR (0.40) HMGCRBCL2L1BADPTGDR2CYP2C9
SCHEMBL9751010 0.78 HMGCR (0.49) HMGCRBCL2L1BADADORA2AADORA1
SCHEMBL9764350 0.73 KDM4E (0.43) HMGCRPTGDR2CYP2C9PTGDR
SCHEMBL6219664 0.72 MAPK14 (0.49)
SCHEMBL2262203 0.72 BCL2L1 (0.44) HMGCRBCL2L1BADPTGDR2CYP2C9
SCHEMBL6092648 0.72 KDM4E (0.47) HMGCR
SCHEMBL22188195 0.71 ELANE (0.43) HMGCRPTGDR2
SCHEMBL22188201 0.71 KDM4E (0.42) HMGCRBCL2L1BADPTGDR2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
US-4937255-A Disubstituted pyrroles BAYER AKTIENGESELLSCHAFT (DE) 1990-06-26 US disclosed
EP-0334147-A1 Disubstituted pyrroles BAYER AG (DE) 1989-09-27 EP 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 HMGCR 1/4885GRIA2 3239/4885GRIA4 3715/4885

“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.