SCHEMBL9065

SCHEMBL9065

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SOAT1 P35610 2/20 0.40
MEN1 O00255 1/20 0.40
FAAH O00519 1/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 2/20 0.36
FFAR1 O14842 1/20 0.36
CPT2 P23786 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
CNR1 P21554 1/20 0.33
FDPS P14324 2/20 0.32
PAOX Q6QHF9 1/20 0.32
TARDBP Q13148 1/20 0.31
SMPD1 P17405 2/20 0.31

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
SCHEMBL10722958 0.97 SOAT1 (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL22271556 0.97 SOAT1 (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL10721246 0.97 SOAT1 (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL3479319 0.97 SOAT1 (0.43) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL156750 0.97 SOAT1 (0.43) KMT2ASOAT1MEN1FAAHTP53
Hydrochloric Acid SCHEMBL31484801 0.95 SOAT1 (0.42) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL31480046 0.93 KMT2A (0.36) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL8965 0.92 SOAT1 (0.37) KMT2ASOAT1MEN1FAAHTP53
SCHEMBL179561 0.83
SCHEMBL9795 0.82 ALDH1A1 (0.43) KMT2ASOAT1MEN1FAAHTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067594-A1 METHODS OF PLASTIC RECYCLING USING HIGHLY EFFICIENT ORGANOCATALYSTS U. S. DEPARTMENT OF ENERGY 2024-02-29 US disclosed
CN-117561058-A CDK2 inhibitors and methods of use thereof 塞迪拉治疗股份有限公司 2024-02-13 CN disclosed
US-20230159488-A1 APPLICATION OF HETEROCYCLIC COMPOUND CONTAINING AT LEAST TWO SULFUR ATOMS IN PREPARING NANO-VACCINE AND PREPARED NANO-VACCINE Suzhou WEAST Biotechnology Co., Ltd. (CN) 2023-05-25 US disclosed
CN-113773259-A Virus main protease inhibitor and preparation method and application thereof 上海药明康德新药开发有限公司 2021-12-10 CN disclosed
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. 2019-05-23 US disclosed
US-9296698-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2016-03-29 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 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
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (5 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-20230159488-A1 APPLICATION OF HETEROCYCLIC COMPOUND CONTAINING AT LEAST TWO SULFUR ATOMS IN PREPARING NANO-VACCINE AND PREPARED NANO-VACCINE CD4, NFATC1, CTSA KMT2A 2333/4885SOAT1 1593/4885MEN1 4399/4885
US-20190151403-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF MALT1, MYLK2, FKBP1B KMT2A 4599/4885SOAT1 2336/4885MEN1 369/4885
US-20120329830-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APP KMT2A 1441/4885SOAT1 2422/4885MEN1 4400/4885
US-20240067594-A1 METHODS OF PLASTIC RECYCLING USING HIGHLY EFFICIENT ORGANOCATALYSTS PARG, PNISR, PARN KMT2A 1599/4885SOAT1 2392/4885MEN1 1565/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 KMT2A 864/4885SOAT1 2251/4885MEN1 4418/4885

“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.