SCHEMBL9795

SCHEMBL9795

CC(C)(O)CCCCC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
SOAT1 P35610 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FAAH O00519 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.35
FFAR1 O14842 1/20 0.34
CPT2 P23786 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ARG1 P05089 1/20 0.32
ARG2 P78540 1/20 0.32
CNR1 P21554 1/20 0.32
FDPS P14324 6/20 0.32
GGPS1 O95749 2/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL24925965 0.98 SOAT1 (0.42) ALDH1A1SOAT1MEN1KMT2AFAAH
SCHEMBL10947726 0.98 SOAT1 (0.42) ALDH1A1SOAT1MEN1KMT2AFAAH
SCHEMBL14321929 0.92 ALDH1A1 (0.45) ALDH1A1SOAT1MEN1KMT2AFAAH
SCHEMBL19526005 0.84
SCHEMBL14338085 0.82 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AFFAR1CPT2
SCHEMBL9065 0.82 KMT2A (0.40) ALDH1A1SOAT1MEN1KMT2AFAAH
SCHEMBL154713 0.80 SOAT1 (0.39) ALDH1A1SOAT1MEN1KMT2AFAAH
SCHEMBL22271556 0.80 SOAT1 (0.43) ALDH1A1SOAT1MEN1KMT2AFAAH
SCHEMBL10721246 0.80 SOAT1 (0.43) ALDH1A1SOAT1MEN1KMT2AFAAH
SCHEMBL156750 0.80 SOAT1 (0.43) ALDH1A1SOAT1MEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP claimed
EP-3399002-B1 HIGHLY SCRATCH RESISTANT ONE-PACK TYPE PAINT COMPOSITION KCC CORP (KR) 2020-08-26 EP disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2012-12-27 US disclosed
EP-2504315-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2012-10-03 EP disclosed
WO-2011063233-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-05-26 WO 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-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP ALDH1A1 1846/4885SOAT1 2422/4885MEN1 4400/4885

“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.