SCHEMBL6774258

SCHEMBL6774258

CC(CC=O)c1cc(-c2cccc(Oc3ccccc3)c2)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
MAPT P10636 4/20 0.40
SDHB P21912 1/20 0.40
THRB P10828 1/20 0.40
NPC1 O15118 6/20 0.40
RAB9A P51151 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
TP53 P04637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
IP6K1 Q92551 1/20 0.38
IP6K3 Q96PC2 1/20 0.38
IP6K2 Q9UHH9 1/20 0.38
FFAR1 O14842 1/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL6769163 0.86 RAB9A (0.46) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL6769256 0.76 ALDH1A1 (0.47) SMN1; SMN2MAPTNPC1RAB9AL3MBTL1
SCHEMBL6773869 0.76 RAB9A (0.49) SMN1; SMN2MAPTSDHBNPC1RAB9A
SCHEMBL6767402 0.74 MAPT (0.47) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL6767117 0.73 MAPT (0.43) SMN1; SMN2MAPTNPC1RAB9ATP53
SCHEMBL6767404 0.69 TP53 (0.43) SMN1; SMN2MAPTTHRBNPC1RAB9A
SCHEMBL17019496 0.69 RAB9A (0.63) SMN1; SMN2MAPTNPC1RAB9ATDP1
SCHEMBL20162732 0.69 MAPT (0.50) SMN1; SMN2MAPTTHRBNPC1RAB9A
SCHEMBL30038111 0.69 MAPT (0.50) SMN1; SMN2MAPTTHRBNPC1RAB9A
SCHEMBL20162878 0.69 MAPT (0.51) SMN1; SMN2MAPTTHRBNPC1RAB9A

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-6723724-B2 PSYCHOLOGICAL DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-20 US disclosed
US-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-08-29 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-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof DRD4, DRD3, DRD2 SMN1; SMN2 4466/4885MAPT 4807/4885SDHB 2643/4885

“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.