SCHEMBL5787405

SCHEMBL5787405

CCC(C(=O)O)=C1CCCc2cc(OC)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
GLA P06280 2/20 0.45
MPO P05164 1/20 0.45
ESR1 P03372 1/20 0.44
MAPT P10636 4/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
ALPL P05186 1/20 0.42
CLK1 P49759 1/20 0.42
NPC1 O15118 1/20 0.42
CYP19A1 P11511 4/20 0.41
CYP11B2 P19099 4/20 0.41
GAA P10253 2/20 0.41
ATM Q13315 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
SCHEMBL5787402 1.00 KDM4E (0.45) KDM4EGLAMPOESR1MAPT
SCHEMBL1401355 0.92 KDM4E (0.50) KDM4EGLAMPOMAPTHSD17B10
SCHEMBL1401357 0.92 KDM4E (0.50) KDM4EGLAMPOMAPTHSD17B10
SCHEMBL2286745 0.90 NQO2 (0.46) KDM4EMAPTHSD17B10ALDH1A1RAB9A
SCHEMBL2286741 0.90 NQO2 (0.46) KDM4EMAPTHSD17B10ALDH1A1RAB9A
SCHEMBL5785926 0.82 MAOB (0.50) KDM4EGLAESR1MAPTHSD17B10
SCHEMBL5785923 0.82 MAOB (0.50) KDM4EGLAESR1MAPTHSD17B10
SCHEMBL15520895 0.77 CYP2A6 (0.43) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL15520897 0.77 CYP2A6 (0.43) MAPTKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL5789323 0.77 MAOA (0.51) KDM4ERAB9ASMN1; SMN2NPC1GAA

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-20060258722-A1 Condensed ring compound TAKEDA PHARMACEUTICAL COMPANY., LTD. (JP) 2006-11-16 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-20060258722-A1 Condensed ring compound GPR119, GLP1R, GCGR KDM4E 3052/4885GLA 3604/4885MPO 3642/4885

“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.