SCHEMBL18869288

SCHEMBL18869288

CC(C)c1cc(Br)cc(C(C)C)c1NN

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
NLRP3 Q96P20 1/20 0.36
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL18960495 0.88 GABRA1 (0.45) GABRA1GABRB1NLRP3
SCHEMBL13485112 0.79 GABRA1 (0.54) GABRA1GABRB1NLRP3CA1CA2
SCHEMBL14753734 0.79 GABRA1 (0.45) GABRA1CA1CA2
SCHEMBL21962997 0.77 CA1 (0.30) CA1CA2
SCHEMBL31248724 0.75 GABRA1 (0.45) GABRA1GABRB1NLRP3
SCHEMBL27501520 0.74 GABRA1 (0.48) GABRA1GABRB1NLRP3
SCHEMBL636376 0.73 GABRA1 (0.58) GABRA1GABRB1CA1CA2
SCHEMBL20681258 0.72 GABRA1 (0.64) GABRA1GABRB1NLRP3CA1CA2
SCHEMBL3206761 0.71 GABRA1 (0.48) GABRA1GABRB1NLRP3CA1CA2
Bromide SCHEMBL9491638 0.71 GABRA1 (0.56) GABRA1GABRB1CA1CA2

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-20170166599-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-06-15 US disclosed
EP-3168223-A1 METAL COMPLEX AND LIGHT EMITTING ELEMENT USING SAME Sumitomo Chemical Company, Limited (JP) 2017-05-17 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-20170166599-A1 METAL COMPLEX AND LIGHT EMITTING DEVICE USING THE SAME CRY1, AP2M1, CCNE2 GABRA1 2520/4885GABRB1 2915/4885NLRP3 2015/4885

“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.