SCHEMBL4029432

SCHEMBL4029432

COC(=O)Cc1ccc(OCc2ccc(C(C)(N)c3nc(-c4ccccc4)cs3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PPARD Q03181 4/20 0.43
PPARA Q07869 4/20 0.43
PPARG P37231 3/20 0.43
ESR1 P03372 2/20 0.43
THRA P10827 2/20 0.43
THRB P10828 2/20 0.43
VDR P11473 2/20 0.43
RXRA P19793 2/20 0.43
ESR2 Q92731 2/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
PKM P14618 1/20 0.41
HPGD P15428 1/20 0.41
NFKB1 P19838 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
SCHEMBL4038358 0.91 PPARD (0.47) APPPPARDPPARAPPARGVDR
SCHEMBL4029428 0.78 KMT2A (0.51) APPNPC1RAB9AALDH1A1HTT
SCHEMBL5585544 0.77 NR4A2 (0.57) NPC1RAB9AALDH1A1PPARDPPARA
SCHEMBL4034139 0.77 SREBF2 (0.44) NPC1RAB9AALDH1A1NFKB1NFKB2
SCHEMBL4029424 0.77 APP (0.54) APPNPC1RAB9AALDH1A1PKM
SCHEMBL4038205 0.76 MAPT (0.53) NPC1RAB9AALDH1A1HPGDNFKB1
SCHEMBL7236732 0.75 FFAR1 (0.61) NPC1RAB9AALDH1A1PDE4APDE4B
SCHEMBL392863 0.74 ALOX5 (0.66) NPC1RAB9AALDH1A1SMN1; SMN2FFAR1
SCHEMBL12688088 0.71 NPC1 (0.70) NPC1RAB9AALDH1A1RXRASMN1; SMN2
SCHEMBL8037910 0.71 ALOX5 (0.61) NPC1RAB9AALDH1A1PPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1357115-B1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2009-06-17 EP disclosed
US-7238716-B2 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICALS COMPANY LIMITED (JP) 2007-07-03 US disclosed
US-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-03-25 US disclosed
EP-1357115-A1 ALKANOIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2003-10-29 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 (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-20040058965-A1 Alkanoic acid derivatives process for their production and use thereof GPR119, ACOX1, ALK APP 1722/4885NPC1 614/4885RAB9A 3908/4885

“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.