SCHEMBL12119814

SCHEMBL12119814

CC(=O)NCC(C)CCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MTNR1A P48039 8/20 0.38
▸ MTNR1B P49286 8/20 0.38
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ ANPEP P15144 1/20 0.35
▸ DNPEP Q9ULA0 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL22959001 0.87 ALDH1A1 (0.39) CYP2D6CYP2C19MTNR1AMTNR1BMAPK1
SCHEMBL10062233 0.83 MTNR1A (0.44) CYP2D6CYP2C19MTNR1AMTNR1BMAPK1
SCHEMBL14953743 0.82 ALDH1A1 (0.39) CYP2D6CYP2C19MTNR1AMTNR1BMAPK1
SCHEMBL8436494 0.82 TSHR (0.42) CYP2D6CYP2C19MTNR1AMTNR1BMAPK1
SCHEMBL21165837 0.81 CYP2D6 (0.41) CYP2D6CYP2C19MTNR1AMTNR1BMAPK1
SCHEMBL12117405 0.80 CYP2D6 (0.38) CYP2D6CYP2C19MAPK1ANPEPDNPEP
SCHEMBL20440215 0.79 ALDH1A1 (0.43) CYP2D6CYP2C19MTNR1AMTNR1BMAPK1
SCHEMBL14094259 0.78 KDM4E (0.54) MTNR1AMTNR1BMAPK1KDM4EHIF1A
SCHEMBL21750018 0.78 GABRP (0.45) CYP2D6CYP2C19MTNR1AMTNR1BANPEP
SCHEMBL5092791 0.78 GABRP (0.45) CYP2D6CYP2C19MTNR1AMTNR1BANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230313195-A1 NUCLEIC ACID, PHARMACEUTICAL COMPOSITION, CONJUGATE, PREPARATION METHOD, AND USE Suzhou Ribo Life Science Co., Ltd. (CN) 2023-10-05 — — US disclosed
US-8455654-B2 Nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2013-06-04 — — US disclosed
US-20110271874-A1 Nanosized Particles of Benzimidazolone Pigments NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2011-11-10 — — US disclosed
US-8012254-B2 Nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-09-06 — — US disclosed
US-7883574-B2 Methods of making nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2011-02-08 — — US disclosed
US-7857901-B2 Nonpolar liquid and solid phase change ink compositions comprising nanosized particles of benzimidazolone pigments XEROX CORPORATION (US) 2010-12-28 — — US disclosed
US-20100251928-A1 NONPOLAR LIQUID AND SOLID PHASE CHANGE INK COMPOSITIONS COMPRISING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-10-07 — — US disclosed
US-20100104963-A1 NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-04-29 — — US disclosed
US-20100004360-A1 METHODS OF MAKING NANOSIZED PARTICLES OF BENZIMIDAZOLONE PIGMENTS XEROX CORPORATION (US) 2010-01-07 — — 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-20230313195-A1 NUCLEIC ACID, PHARMACEUTICAL COMPOSITION, CONJUGATE, PREPARATION METHOD, AND USE PCSK9, PCSK7, PCSK6 CYP2D6 1689/4885CYP2C19 1563/4885MTNR1A 1720/4885

“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.

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