SCHEMBL4377057

SCHEMBL4377057

C#Cc1ccc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
KCNH2 Q12809 1/20 0.37
HTR1D P28221 1/20 0.36
NR1H4 Q96RI1 2/20 0.34
PGR P06401 1/20 0.33
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
KIF11 P52732 2/20 0.33
PTPN1 P18031 1/20 0.33
PPARG P37231 3/20 0.32
MPO P05164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 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
SCHEMBL21702560 0.97 GABRA1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA2
Toluene SCHEMBL27786879 0.90 DNMT1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL21702566 0.89 PPARG (0.34) GABRA1GABRG2GABRB3GABRA5GABRA2
Pyridine SCHEMBL27765029 0.89 GABRA1 (0.35) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL19033431 0.84 NR1H4 (0.44) KCNH2HTR1DNR1H4PGRRORA
SCHEMBL27940435 0.83 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL20100119 0.83 KCNH2 (0.42) KCNH2HTR1DNR1H4PGRRORA
SCHEMBL28563883 0.83 GABRG2 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA2
SCHEMBL27786878 0.81 TSHR (0.41) KCNH2HTR1DNR1H4PGRRORA
SCHEMBL13232879 0.81 KCNH2 (0.41) KCNH2HTR1DNR1H4PGRRORA

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
CN-105646551-B Trivalent gold complex and its application in photo catalytic reduction water hydrogen manufacturing 南京大学 2018-01-16 CN claimed
CN-105646551-A Trivalent gold complex and application thereof to hydrogen manufacturing through photocatalytic reduction water 南京大学 2016-06-08 CN claimed
US-20200052229-A1 DENDRIMERS CONTAINING LUMINESCENT PLATINUM(II) COMPOUNDS FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION THE UNIVERSITY OF HONG KONG (CN) 2020-02-13 US disclosed
CN-105646551-B Trivalent gold complex and its application in photo catalytic reduction water hydrogen manufacturing 南京大学 2018-01-16 CN disclosed
CN-105646551-A Trivalent gold complex and application thereof to hydrogen manufacturing through photocatalytic reduction water 南京大学 2016-06-08 CN disclosed
US-20090058282-A1 Compound and Method of Using Same, Organic El Element, Method of Manufacturing Same, and Method of Using Same RIKEN (JP) 2009-03-05 US disclosed
US-20090058282-A1 Compound and Method of Using Same, Organic El Element, Method of Manufacturing Same, and Method of Using Same RIKEN (JP) 2009-03-05 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 (2 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-20200052229-A1 DENDRIMERS CONTAINING LUMINESCENT PLATINUM(II) COMPOUNDS FOR ORGANIC LIGHT-EMITTING DEVICES AND THEIR PREPARATION PDCD1LG2, PDCD2L, LIG3 GABRA1 2060/4885GABRG2 1340/4885GABRB3 2054/4885
US-20090058282-A1 Compound and Method of Using Same, Organic El Element, Method of Manufacturing Same, and Method of Using Same XDH, LEF1, XPO4 GABRA1 4197/4885GABRG2 3753/4885GABRB3 4361/4885

“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.