SCHEMBL21076085

SCHEMBL21076085

CCn1c2cc(C#N)ccc2c2ccc(C#N)cc21

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.48
RORC P51449 9/20 0.46
CYP2A6 P11509 1/20 0.45
ACSS2 Q9NR19 1/20 0.45
CYP11B2 P19099 4/20 0.43
CYP11B1 P15538 3/20 0.43
ROCK2 O75116 1/20 0.43
SRC P12931 1/20 0.41

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
SCHEMBL21599721 0.92 PTGER4 (0.59) PTGER4RORCACSS2
SCHEMBL21076080 0.85 RORC (0.52) PTGER4RORCCYP2A6ACSS2
SCHEMBL21547074 0.81 PTGER4 (0.43) PTGER4RORCROCK2
SCHEMBL5892136 0.81 PTGER4 (0.63) PTGER4RORC
SCHEMBL29643208 0.81 PTGER4 (0.63) PTGER4RORC
SCHEMBL1052309 0.81 KDM4E (0.39) PTGER4RORCSRC
SCHEMBL4555901 0.81 KDM4E (0.49) ACSS2CYP11B2CYP11B1
SCHEMBL18030923 0.78 L3MBTL1 (0.41) CYP2A6SRC
SCHEMBL7973614 0.76 KDM4E (0.62) PTGER4RORC
SCHEMBL7491601 0.75 CYP11B2 (0.46) PTGER4CYP2A6ACSS2CYP11B2CYP11B1

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-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES Kyulux North America, Inc. 2019-06-06 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-20190173019-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES CRY2, ALDH1A2, CYBA PTGER4 1478/4885RORC 639/4885CYP2A6 485/4885

“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.