SCHEMBL4968787

SCHEMBL4968787

CC(C)(C)C1(C#N)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.32
PDE4A P27815 1/20 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
SCHEMBL4738792 0.97 ALDH1A1 (0.36) ALDH1A1
SCHEMBL1091612 0.92 ALDH1A1 (0.31) ALDH1A1
SCHEMBL1090984 0.86
SCHEMBL28959862 0.80 ALDH1A1 (0.37) ALDH1A1
SCHEMBL2864827 0.80 ALDH1A1 (0.42) ALDH1A1
SCHEMBL23995726 0.77
SCHEMBL10202610 0.75 ALDH1A1 (0.31) ALDH1A1
SCHEMBL23344997 0.75
SCHEMBL11272259 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL9682850 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-20210214389-A1 DIASTEREOMERIC CONJUGATE COMPOSITIONS AND METHODS OF MAKING AND USING SAME OSTEOANALGESIA, LLC 2021-07-15 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-9938236-B2 Antiviral agents against HBV infection DREXEL UNIVERSITY (US) 2018-04-10 US disclosed
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-28 US disclosed
JP-2008150376-A NEW METHOD FOR SYNTHESIZING [R-(R*,R*)]-2-(4-FLUOROPHENYL)-β, δ-DIHYDROXY-5-(1-METHYLETHYL)-3-PHENYL-4-[(PHENYLAMINO)CARBONYL]-1H-PYRROLE-1-HEPTANOIC ACID OR ITS PHARMACEUTICALLY ACCEPTABLE SALT PFIZER PROD INC 2008-07-03 JP disclosed
EP-0210760-B1 METHOD FOR THE PREPARATION OF CROSS-LINKED POLYETHYLENE FOAMS AND FOAMS PRODUCED BY THE METHOD BP CHEMICALS FOAMS BUSINESS, SA (ES) 1992-05-06 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 (3 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF ALDH1A1 1973/4885GAA 4392/4885PDE4A 1717/4885
US-20160024004-A1 NOVEL ANTIVIRAL AGENTS AGAINST HBV INFECTION HAVCR2, EIF2AK2, NR1H4 ALDH1A1 2569/4885GAA 1127/4885PDE4A 2596/4885
US-20210214389-A1 DIASTEREOMERIC CONJUGATE COMPOSITIONS AND METHODS OF MAKING AND USING SAME NR3C1, GCG, NR3C2 ALDH1A1 1328/4885GAA 2008/4885PDE4A 721/4885

“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.