SCHEMBL16633288

SCHEMBL16633288

CCC(c1ccc(OC(C)C)cc1)N(C(=O)O)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
KMT2A Q03164 3/20 0.44
CNR2 P34972 1/20 0.42
POLB P06746 1/20 0.41
PARP10 Q53GL7 1/20 0.40
ALDH1A1 P00352 4/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
TSPO P30536 1/20 0.38
ACACB O00763 3/20 0.37
ACACA Q13085 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 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
SCHEMBL16634014 0.88 DAGLA (0.41) NPSR1KMT2AALDH1A1MEN1
SCHEMBL16633588 0.81 ESR1 (0.43) ALDH1A1
SCHEMBL16633048 0.80 CYP2C9 (0.41) NPSR1KMT2ACNR2ALDH1A1TSHR
SCHEMBL2574635 0.80 CYP1A2 (0.38) KMT2AMEN1SMN1; SMN2
SCHEMBL16633459 0.78 FFAR1 (0.46) PARP10ACACBACACA
SCHEMBL6349734 0.76 TAS1R3 (0.43) NPSR1KMT2ACNR2ALDH1A1MEN1
SCHEMBL2502217 0.76 FFAR1 (0.52) ALDH1A1TSHR
SCHEMBL17603763 0.74 BMP1 (0.43) NPSR1KMT2ACNR2ALDH1A1
SCHEMBL21523878 0.74 POLB (0.53) NPSR1KMT2ACNR2POLBPARP10
SCHEMBL5862818 0.71 BMP1 (0.41) NPSR1KMT2ACNR2ALDH1A1

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-9469637-B2 Nitrogenated heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-18 US disclosed
US-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-04-16 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-20150105373-A1 NITROGENATED HETEROCYCLIC COMPOUND PDE2A, PDE5A, PDE3A NPSR1 398/4885KMT2A 262/4885CNR2 693/4885

“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.