SCHEMBL21396837

SCHEMBL21396837

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1c(C#N)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-n2c3ccccc3c3cc(C(C)(C)C)ccc32)c(-c2ccc3c(c2)-c2ncccc2[Si]32c3ccccc3-c3ccccc32)c1-n1c2ccccc2c2cc(C(C)(C)C)ccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.33
NRP1 O14786 1/20 0.31
PDE9A O76083 1/20 0.30
PDE1C Q14123 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
SCHEMBL21377984 0.92 PDE9A (0.32) PDE9APDE1C
SCHEMBL21378052 0.91 NRP1 (0.33) NRP1PDE9APDE1C
SCHEMBL21396593 0.91 KDR (0.30)
SCHEMBL21396840 0.91
SCHEMBL21397106 0.91
SCHEMBL21378013 0.89 PDE9A (0.32) PDE9APDE1C
SCHEMBL21378075 0.88 PDE1C (0.35) PDE9APDE1C
SCHEMBL21397104 0.87 TRPV1 (0.31) TRPV1
SCHEMBL21377935 0.86 PDE9A (0.31) PDE9APDE1C
SCHEMBL21377923 0.85 PDE9A (0.32) PDE9APDE1C

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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-09-26 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-20190292181-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, SLCO1B3, NDUFV3 TRPV1 324/4885NRP1 999/4885PDE9A 4069/4885

“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.