SCHEMBL346265

SCHEMBL346265

COc1ccc2c(c1)CCC(C(=O)O)=C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.51
CYP11B2 P19099 3/20 0.51
PTGS2 P35354 1/20 0.49
KDM4E B2RXH2 4/20 0.48
GLA P06280 2/20 0.48
CYP19A1 P11511 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
MEN1 O00255 1/20 0.44
ALPL P05186 1/20 0.44
CLK1 P49759 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
ALOX5 P09917 1/20 0.43
BCL2 P10415 1/20 0.42
NOTUM Q6P988 1/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 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
SCHEMBL8483356 0.88 CYP11B2 (0.46) CYP11B2PTGS2KDM4EGLAMAOB
SCHEMBL9221697 0.88 CYP11B1 (0.51) CYP11B1CYP11B2PTGS2KDM4EGLA
SCHEMBL9621213 0.86 CYP11B1 (0.50) CYP11B1CYP11B2PTGS2KDM4EGLA
SCHEMBL5694167 0.86 CA12 (0.54) CYP11B1CYP11B2PTGS2KDM4EGLA
SCHEMBL9621186 0.85 CYP11B1 (0.38) CYP11B1CYP11B2PTGS2KDM4EGLA
SCHEMBL15982334 0.84 CA2 (0.49) CYP11B1CYP11B2PTGS2KDM4EGLA
SCHEMBL9621184 0.83 S1PR1 (0.43) CYP11B1CYP11B2KDM4EHSD17B10
SCHEMBL9621234 0.81 TP53 (0.44) KDM4EMEN1KMT2AMAPTRAB9A
SCHEMBL8484091 0.79 NOTUM (0.38) PTGS2KDM4ECA12CA9NOTUM
SCHEMBL5694173 0.79 PTGS2 (0.64) CYP11B1CYP11B2PTGS2KDM4EGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
EP-1683790-A1 3,4-dihydro-2-naphthamide derivatives as selective dopamine D3 ligands INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2006-07-26 EP disclosed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 CYP11B1 1393/4885CYP11B2 1469/4885PTGS2 1179/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 CYP11B1 861/4885CYP11B2 984/4885PTGS2 956/4885

“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.