SCHEMBL29313199

SCHEMBL29313199

CC(C)(S)c1ccc2c(c1)Oc1ccccc1N2c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
P2RX4 Q99571 8/20 0.33
CDK8 P49336 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
SCHEMBL19862784 0.88 NR1H3 (0.37) NR1H2NR1H3MAPTSMN1; SMN2NPSR1
SCHEMBL23992542 0.83 KIF11 (0.37) NR1H2NR1H3CDK8
SCHEMBL20059347 0.79 P2RX4 (0.40) NR1H2NR1H3MAPTSMN1; SMN2NPSR1
SCHEMBL16449484 0.78 NPC1 (0.41) NR1H2NR1H3MAPTSMN1; SMN2NPSR1
SCHEMBL20059322 0.78 NR1H3 (0.34) NR1H2NR1H3MAPTSMN1; SMN2NPSR1
SCHEMBL13864781 0.78 NR1H2 (0.35) NR1H2NR1H3MAPTSMN1; SMN2NPSR1
SCHEMBL1573992 0.78 P2RX4 (0.47) NPSR1P2RX4
SCHEMBL29406608 0.78 P2RX4 (0.47) NPSR1P2RX4
SCHEMBL29379993 0.78 P2RX4 (0.47) NPSR1P2RX4
SCHEMBL13203012 0.77 P2RX4 (0.43) MAPTSMN1; SMN2NPSR1P2RX4CDK8

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-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 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 (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-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 NR1H2 634/4885NR1H3 681/4885MAPT 746/4885

“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.