SCHEMBL9966871

SCHEMBL9966871

O=C(O)c1ccc(OC2CCc3cc(Cl)ccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 3/20 0.55
KDM4C Q9H3R0 3/20 0.55
KDM5B Q9UGL1 2/20 0.55
SRD5A1 P18405 1/20 0.47
SRD5A2 P31213 1/20 0.47
SLC6A4 P31645 1/20 0.44
EPHX2 P34913 2/20 0.43
FAAH O00519 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2J2 P51589 1/20 0.43
FFAR1 O14842 5/20 0.42
NR4A2 P43354 2/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
RXRG P48443 2/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL9966872 0.88 KDM5A (0.47) KDM5AKDM4CKDM5BSRD5A1SLC6A4
SCHEMBL12019265 0.83 FFAR1 (0.47) KDM5AKDM4CKDM5BSLC6A4EPHX2
SCHEMBL14969169 0.82 KDM5A (0.46) KDM5AKDM4CKDM5BSRD5A1SRD5A2
SCHEMBL1745475 0.82 FFAR1 (0.50) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL9964442 0.82 KDM5A (0.44) KDM5AKDM4CKDM5BSRD5A1SLC6A4
SCHEMBL9964443 0.78 SLC6A4 (0.42) KDM5AKDM4CKDM5BSRD5A1SRD5A2
SCHEMBL1746551 0.78 KDM5A (0.41) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL1746743 0.77 KDM5A (0.40) KDM5AKDM4CKDM5BSLC6A4FFAR1
SCHEMBL1508348 0.76 FFAR1 (0.75) FFAR1
SCHEMBL13616818 0.75 FFAR1 (0.75) CYP2C9FFAR1

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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2012-06-21 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-20120157459-A1 NOVEL 3-HYDROXY-5-ARYLISOTHIAZOLE DERIVATIVE GPR119, GPR27, NR0B1 KDM5A 3166/4885KDM4C 3758/4885KDM5B 3387/4885

“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.