SCHEMBL2423972

SCHEMBL2423972

COc1cc(C(C)(C)C)[c]cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 1/20 0.46
HTR2A P28223 1/20 0.40
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
MAPT P10636 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
EPHX2 P34913 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
SCHEMBL10592818 0.78 ALOX15 (0.53) CYP3A4LMNATP53HPGDALOX15
SCHEMBL398747 0.78 CYP3A4 (0.44) CYP3A4LMNATP53HPGDALOX15
SCHEMBL5094246 0.76 MAPT (0.35) ALOX15CA1CA2MAPTALDH1A1
SCHEMBL16291598 0.76 LMNA (0.42) CYP3A4LMNATP53HPGDALOX15
SCHEMBL29006123 0.73 ALDH1A1 (0.45) CYP3A4HPGDMAPTALDH1A1GAA
SCHEMBL398164 0.73 CYP3A4 (0.74) CYP3A4LMNATP53HPGDALOX15
SCHEMBL4679784 0.72 CYP1A2 (0.34) CYP3A4TP53ALOX15CA1CA2
SCHEMBL11339670 0.72 LMNA (0.32) CYP3A4LMNATP53HPGDALOX15
SCHEMBL29191910 0.71 CASP1 (0.36) TP53MAPTALDH1A1GAA
SCHEMBL29287492 0.71 KDM4E (0.31) ALOX15MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2368893-B1 Process for production of an aluminum hydride compound ROHM & HAAS (US) 2014-10-22 EP disclosed
US-8808662-B2 Process for production of a borohydride compound ROHM AND HAAS COMPANY (US) 2014-08-19 US disclosed
US-8802051-B2 Process for production of a metal hydride ROHM AND HAAS COMPANY (US) 2014-08-12 US disclosed
US-8501137-B2 Process for production of an aluminum hydride compound ROHM AND HAAS COMPANY (US) 2013-08-06 US disclosed
EP-2368840-B1 Process for production of a metal hydride ROHM & HAAS (US) 2013-07-31 EP disclosed
US-20110236286-A1 PROCESS FOR PRODUCTION OF A BOROHYDRIDE COMPOUND VERTELLUS SBH HOLDINGS LLC 2011-09-29 US disclosed
US-20110236287-A1 PROCESS FOR PRODUCTION OF AN ALUMINUM HYDRIDE COMPOUND VERTELLUS SBH HOLDINGS LLC 2011-09-29 US disclosed
US-20110236300-A1 PROCESS FOR PRODUCTION OF A METAL HYDRIDE VSI ACQUISITION CORP. 2011-09-29 US disclosed
EP-2368893-A1 Process for production of an aluminum hydride compound Rohm and Haas Company (US) 2011-09-28 EP disclosed
EP-2368840-A1 Process for production of a metal hydride Rohm and Haas Company (US) 2011-09-28 EP disclosed
EP-2368841-A1 Process for production of a borohydride compound Rohm and Haas Company (US) 2011-09-28 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-20110236287-A1 PROCESS FOR PRODUCTION OF AN ALUMINUM HYDRIDE COMPOUND AS3MT, ALYREF, ASH2L CYP3A4 1032/4885LMNA 2600/4885TP53 2736/4885

“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.