SCHEMBL18639079

SCHEMBL18639079

B[C@]1(C)CCCC2C3CCCCC3CC21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL2990884 0.76 CYP19A1 (0.39) GRIN1GRIN2B
SCHEMBL595793 0.72 HSD17B10 (0.37) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL18513523 0.71 HSD11B1 (0.32) ALDH1A1
SCHEMBL3001814 0.69
SCHEMBL2994870 0.69 HSD17B10 (0.30)
SCHEMBL2997625 0.69
SCHEMBL2998685 0.68
SCHEMBL2992864 0.68
SCHEMBL10151906 0.67 ALDH1A1 (0.41) ALDH1A1GAAMAPT
SCHEMBL4156622 0.67 HSD17B10 (0.37) GRIN1GRIN2B

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-10361381-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-07-23 US disclosed
US-20170077426-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2017-03-16 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-10361381-B2 Organic electroluminescent materials and devices NR1D2, NR1D1, NR1H2 GRIN1 126/4885GRIN2B 49/4885ALDH1A1 1323/4885
US-20170077426-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NR1D2, NR1D1, NR1H2 GRIN1 143/4885GRIN2B 53/4885ALDH1A1 1352/4885

“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.