SCHEMBL13482129

SCHEMBL13482129

COc1ccc2c(n1)CCCCC2=O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.44
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HPGD P15428 2/20 0.37
BRD9 Q9H8M2 1/20 0.35
BRD7 Q9NPI1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B1 P14061 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2485416 0.97 GRM5 (0.48) GRM5ALDH1A1KDM4EHPGDNPSR1
SCHEMBL28456231 0.89 KDM4E (0.42) GRM5ALDH1A1KDM4EHPGDBRD9
SCHEMBL4426496 0.79 GRM5 (0.44) GRM5NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL22787232 0.76 GRM5 (0.43) GRM5ALDH1A1KDM4EHPGDNPSR1
SCHEMBL13660375 0.75 GRM5 (0.42) GRM5NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL4423448 0.74 GRM5 (0.54) GRM5ALDH1A1KDM4EHPGDNPSR1
SCHEMBL4170720 0.74 DRD2 (0.47) GRM5NPC1MAOAPOLBTDP1
SCHEMBL10008159 0.73 GRM5 (0.53) GRM5
SCHEMBL21369701 0.73 GRM5 (0.43) GRM5ALDH1A1KDM4ENPSR1NPC1
SCHEMBL23376904 0.73 GRM5 (0.51) GRM5ALDH1A1KDM4EHPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-7659281-B2 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-09 US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249583-A1 HMG-CoA reductase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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-20070249583-A1 HMG-CoA reductase inhibitors HMGCR, LDLR, PCSK9 GRM5 1577/4885ALDH1A1 1255/4885KDM4E 1656/4885

“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.