SCHEMBL6830586

SCHEMBL6830586

CC(Oc1ccccc1-c1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)no1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.47
RAB9A P51151 6/20 0.47
MAPT P10636 5/20 0.45
CNR2 P34972 5/20 0.45
FAAH O00519 2/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
HSD17B10 Q99714 5/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6833783 0.90 HSD17B10 (0.49) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL6819126 0.86 HSD17B10 (0.48) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL6817912 0.84 RAB9A (0.45) NPC1RAB9AMAPTCNR2FAAH
SCHEMBL6818312 0.84 HSD17B10 (0.45) NPC1RAB9AMAPTCNR2ALDH1A1
SCHEMBL6818638 0.84 KDM4E (0.50) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL6817690 0.84 HSD17B10 (0.62) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL6835558 0.83 HSD17B10 (0.45) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL6818688 0.83 CNR2 (0.47) NPC1RAB9AMAPTCNR2FAAH
SCHEMBL6833742 0.82 HSD17B10 (0.44) NPC1RAB9AMAPTCNR2FAAH
SCHEMBL6835616 0.82 CNR2 (0.42) NPC1RAB9AMAPTCNR2FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 NPC1 3778/4885RAB9A 4337/4885MAPT 4759/4885

“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.