SCHEMBL21020372

SCHEMBL21020372

CC(C)(C)c1ccc(-c2cccc(-c3ccc4c(c3)c3ccccc3n4C(C)(C)C)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSPO P30536 2/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ ASIC1 P78348 1/20 0.40
▸ SERPINE1 P05121 4/20 0.39
▸ KIF11 P52732 4/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ ICMT O60725 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HSD17B2 P37059 1/20 0.35

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
SCHEMBL24816197 0.89 TSPO (0.48) TSPORXRARXRBALDH1A1MAPT
SCHEMBL23051528 0.87 KIF11 (0.44) DHODHASIC1SERPINE1KIF11ICMT
SCHEMBL19421851 0.84 GRM2 (0.42) TSPOSERPINE1RXRARXRB
SCHEMBL13761866 0.84 TSPO (0.44) TSPOSERPINE1RXRARXRB
SCHEMBL13761876 0.84 TSPO (0.44) TSPOSERPINE1RXRARXRB
SCHEMBL13761871 0.84 TSPO (0.44) TSPOSERPINE1RXRARXRB
SCHEMBL13761877 0.84 TSPO (0.44) TSPOSERPINE1RXRARXRB
SCHEMBL13761870 0.84 TSPO (0.44) TSPOSERPINE1RXRARXRB
SCHEMBL13762045 0.84 TSPO (0.44) TSPOSERPINE1RXRARXRB
SCHEMBL13761878 0.84 TSPO (0.44) TSPOSERPINE1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190157566-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME LG DISPLAY CO., LTD. (KR) 2019-05-23 — — 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 (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-20190157566-A1 ORGANIC COMPOUND, AND LIGHT-EMITTING DIODE AND LIGHT-EMITTING DEVICE INCLUDING THE SAME DRD1, DRD3, DRD4 TSPO 4177/4885DHODH 869/4885ASIC1 2360/4885

“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.

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