SCHEMBL791992

SCHEMBL791992

COCc1cc(C(C)(C)C)cc(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
HMGCR P04035 3/20 0.41
IDO1 P14902 2/20 0.39
TACR1 P25103 4/20 0.38
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
POLB P06746 2/20 0.34
HTR1D P28221 1/20 0.34
APP P05067 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL9069281 0.87 TACR1 (0.51) GABRA1GABRB2HMGCRIDO1TACR1
SCHEMBL14949278 0.81 IDO1 (0.34) IDO1TACR1
SCHEMBL1188549 0.80 EPHX2 (0.39) GABRA1GABRB2POLBMAPTLMNA
SCHEMBL28273469 0.79 IDO1 (0.38) IDO1TACR1
SCHEMBL280585 0.79 IDO1 (0.63) IDO1TACR1
SCHEMBL5964958 0.79 GABRA1 (0.52) GABRA1GABRB2HMGCRIDO1TACR1
SCHEMBL350082 0.79 IDO1 (0.46) IDO1TACR1
SCHEMBL15784779 0.78 HTR1D (0.40) GABRA1GABRB2TACR1HTR1D
SCHEMBL14838199 0.78 TACR1 (0.38) GABRA1GABRB2HMGCRIDO1TACR1
SCHEMBL14838198 0.77 GABRA1 (0.44) GABRA1GABRB2HMGCRIDO1TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9323150-B2 Actinic-ray- or radiation-sensitive resin composition, actinic-ray- or radiation-sensitive film therefrom and method of forming pattern FUJIFILM CORPORATION (JP) 2016-04-26 US disclosed
US-20140227636-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION, ACTINIC-RAY- OR RADIATION-SENSITIVE FILM THEREFROM AND METHOD OF FORMING PATTERN FUJIFILM CORPORATION (JP) 2014-08-14 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-6679754-B2 Dyeable polyolefin fibers and fabrics CIBA SPECIALTY CHEMICALS CORPORATION 2004-01-20 US disclosed
US-20020161123-A1 Dyeable polyolefin fibers and rabrics CIBA SPECIALTY CHEMICALS CORP. 2002-10-31 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 (4 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 GABRA1 3224/4885GABRB2 3658/4885HMGCR 3017/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI GABRA1 3751/4885GABRB2 3795/4885HMGCR 2982/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI GABRA1 3751/4885GABRB2 3795/4885HMGCR 2982/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 GABRA1 3224/4885GABRB2 3658/4885HMGCR 3017/4885

“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.