SCHEMBL9971399

SCHEMBL9971399

CC(C)(Cl)CC(C)(C)C#N

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TSHR P16473 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
SCHEMBL3626628 0.81
SCHEMBL29018972 0.76 ALDH1A1 (0.32) ALDH1A1TSHR
SCHEMBL8200858 0.75
SCHEMBL13078776 0.73
SCHEMBL18892824 0.72
SCHEMBL24591379 0.71
SCHEMBL14308057 0.71
SCHEMBL15060885 0.71
SCHEMBL4666457 0.69
SCHEMBL5334154 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170210772-A1 Cleavable Conjugates of Functionalized Platinum-Acridine and Platinum-Benzacridine Agents and Methods Thereof WAKE FOREST UNIVERSITY 2017-07-27 US disclosed
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2015-06-11 US disclosed
US-8202843-B2 Macrocyclic compounds and methods of making and using the same RIB-X PHARMACEUTICALS, INC. (US) 2012-06-19 US disclosed
US-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same BioVersys AG (CH) 2008-05-22 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 (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-20080119419-A1 Bifunctional heterocyclic compounds and methods of making and using same PCNA, DCX, ATIC ALDH1A1 2559/4885TSHR 3922/4885
US-20150158901-A1 MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME CCNO, PTGDR, CCNE1 ALDH1A1 2970/4885TSHR 762/4885
US-20170210772-A1 Cleavable Conjugates of Functionalized Platinum-Acridine and Platinum-Benzacridine Agents and Methods Thereof CES2, CES1, BCHE ALDH1A1 502/4885TSHR 3596/4885

“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.