SCHEMBL4457527

SCHEMBL4457527

CCc1[c]c(-c2ccccc2)cc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NLRP3 Q96P20 1/20 0.31
HEXA P06865 2/20 0.31
HEXB P07686 2/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
ACHE P22303 1/20 0.31
DHFR P00374 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
SCHEMBL7914615 0.82 LMNA (0.41) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL27547634 0.80 CA12 (0.33) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL721411 0.79 TP53 (0.36) ALDH1A1MAPTTP53HEXAHEXB
SCHEMBL195576 0.76 LMNA (0.36) KDM4ELMNAALDH1A1CA12CA1
SCHEMBL263267 0.75 NOS3 (0.34) ALDH1A1TSHRRAPGEF4
SCHEMBL6286439 0.75 TP53 (0.36) ALDH1A1MAPTTP53HEXAHEXB
SCHEMBL9139369 0.74 TP53 (0.41) TP53TSHRRAPGEF4
SCHEMBL510173 0.74 ALDH1A1 (0.41) KDM4EALDH1A1CA1CA2CA9
SCHEMBL6870040 0.73 CA1 (0.35) ALDH1A1CA12CA1CA2CA7
SCHEMBL4648563 0.70 KDM4E (0.33) KDM4ELMNAALDH1A1MAPTTSHR

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
EP-1597198-B1 METHOD FOR STABILISING DISPERSIONS WACKER CHEMIE AG (DE) 2009-04-29 EP disclosed
EP-1473296-B1 Organofunctional surface modified metal oxides WACKER CHEMIE AG (DE) 2006-08-02 EP disclosed
US-7041676-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2006-05-09 US disclosed
EP-1473296-A1 Organofunctional surface modified metal oxides Wacker-Chemie GmbH (DE) 2004-11-03 EP disclosed
US-20040082567-A1 Compounds, compositions, and methods CYTOKINETICS, INC. 2004-04-29 US disclosed
US-4895987-A Phosphonite-and phosphonite-promoted ruthenium - cobalt catalysts for the dealkoxyhydroxymethylation of acetals to form glycol ethers SUN REFINING AND MARKETING COMPANY (US) 1990-01-23 US disclosed
EP-0312659-A1 Phosphonite-and phosphinite-promoted ruthenium - cobalt catalysts for the dealkoxyhydroxymethylation of acetals to form glycol ethers Sun Refining and Marketing Company (US) 1989-04-26 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 (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-20040082567-A1 Compounds, compositions, and methods ALPP, PCNA, MKI67 KDM4E 1780/4885LMNA 469/4885ALDH1A1 2274/4885

“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.