SCHEMBL10037121

SCHEMBL10037121

CC(C)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
LMNA P02545 2/20 0.48
GABRG2 P18507 2/20 0.48
GABRB3 P28472 2/20 0.48
GABRB2 P47870 2/20 0.48
FAAH O00519 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
GABRB1 P18505 1/20 0.48
PTGS1 P23219 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2C P28335 1/20 0.48
GABRA5 P31644 1/20 0.48
GABRA3 P34903 1/20 0.48
HTR2B P41595 1/20 0.48
GABRA2 P47869 1/20 0.48

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
SCHEMBL11420978 0.85 LMNA (0.40) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL19505932 0.81 GABRA1 (0.50) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL17636908 0.81 GABRA1 (0.50) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL15494164 0.79 SMN1; SMN2 (0.46) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL6579678 0.79 GABRA1 (0.43) GABRA1LMNAGABRG2GABRB3GABRB2
Hydrochloric Acid SCHEMBL29113135 0.79 GABRA1 (0.43) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL812723 0.79 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL24592602 0.78 GABRA1 (0.46) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL22429269 0.78 SOAT1 (0.46) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL24307685 0.78 KMT2A (0.49) GABRA1LMNAGABRG2GABRB3GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111978346-A Arylamine silane compound, propylene polymerization catalyst, preparation and application thereof 中国石油天然气股份有限公司 2020-11-24 CN claimed
US-10256419-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-04-09 US disclosed
US-8901336-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US disclosed
US-8901336-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US disclosed
US-8901336-B2 Catalysts, methods of making catalysts, and methods of use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2014-12-02 US disclosed
US-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2013-03-07 US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 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-20130060056-A1 CATALYSTS, METHODS OF MAKING CATALYSTS, AND METHODS OF USE SOD1, CAT, APEX1 GABRA1 4028/4885LMNA 1130/4885GABRG2 3910/4885
US-10256419-B2 Organic electroluminescent materials and devices EML4, TYR, CPNE4 GABRA1 2476/4885LMNA 2569/4885GABRG2 2279/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P GABRA1 4096/4885LMNA 3338/4885GABRG2 3586/4885

“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.