SCHEMBL17192072

SCHEMBL17192072

CC(C)c1cccc2c[n+](C(C)C)c(O)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB1 P18505 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL17192074 0.79 GABRA1 (0.47) GABRA1GABRB2GABRG2GABRB3GABRB1
SCHEMBL19420595 0.72 GABRA1 (0.47) GABRA1GABRB2GABRG2GABRB3GABRB1
SCHEMBL9170583 0.68 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3GABRB1
SCHEMBL19067390 0.67 GABRA1 (0.58) GABRA1GABRB2GABRG2GABRB3GABRB1
SCHEMBL17192080 0.66 GABRA1 (0.46) GABRA1GABRB2GABRG2GABRB3GABRB1
SCHEMBL17192062 0.66 GABRA1 (0.38) GABRA1GABRB2GABRG2GABRB3GABRB1
SCHEMBL19420584 0.66 GABRA1 (0.47) GABRA1GABRB2GABRG2GABRB3GABRB1
Propofol SCHEMBL2414429 0.65 GABRA1 (1.00) GABRA1GABRB2GABRG2GABRB3GABRB1
Propofol SCHEMBL36245 0.65 GABRA1 (1.00) GABRA1GABRB2GABRG2GABRB3GABRB1
SCHEMBL17192083 0.65 RNASEH1 (0.38) GABRA1GABRB2CYP3A4CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL GABRA1 3836/4885GABRB2 2708/4885GABRG2 3644/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 GABRA1 3713/4885GABRB2 2610/4885GABRG2 3191/4885

“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.