SCHEMBL7728428

SCHEMBL7728428

Cc1cc(C)c(-c2cc(C(C)C)[c]c(C(C)C)c2)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
RAPGEF4 Q8WZA2 1/20 0.30

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
SCHEMBL3819839 0.82 SRC (0.37)
SCHEMBL840411 0.80 RXRA (0.33) ALDH1A1
SCHEMBL3817420 0.80 EGLN2 (0.33) ALDH1A1
SCHEMBL1395973 0.79 NOS3 (0.34) ALDH1A1
SCHEMBL28111316 0.77
SCHEMBL28550161 0.77 ACHE (0.35) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL28520870 0.72 ANPEP (0.30)
SCHEMBL7728424 0.72 LMNA (0.32)
SCHEMBL22421482 0.71 RAPGEF4 (0.41) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL25767798 0.70 LMNA (0.35) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150045558-A1 RUTHENIUM-BASED METATHESIS CATALYSTS AND PRECURSORS FOR THEIR PREPARATION UMICORE AG & CO. KG (DE) 2015-02-12 US claimed
US-6403802-B1 MIXING IN LIQUID MEDIUM STRONG BASE, ARYL HALIDE OR ARYL PSEUDOHALIDE, PRIMARY AND/OR SECONDARY AMINE, NICKEL, PALLADIUM OR PLATINUM COMPOUND, N-HETEROCYCLIC CARBENE SUCH AS IMIDAZOLINE-2-YLIDENE, BIS(IMIDAZOLINE-2-YLIDENE) OR SALTS UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION 2002-06-11 US disclosed
WO-2001066248-A2 C-C AND C-N COUPLING CATALYST COMPRISING TRANSITION METAL AND CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION (US) 2001-09-13 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-20150045558-A1 RUTHENIUM-BASED METATHESIS CATALYSTS AND PRECURSORS FOR THEIR PREPARATION HMBS, RNF168, RRP12 MEN1 2612/4885ALDH1A1 1435/4885MAPT 2459/4885

“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.