SCHEMBL17952522

SCHEMBL17952522

Cc1cc(C)c(C)c(N2c3c(C#N)cccc3N(C)[C@@H]2C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ CYP1A2 P05177 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ HBB P68871 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ DRD4 P21917 1/20 0.31

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
SCHEMBL17947330 0.90 KDM4E (0.33) KDM4EALDH1A1TSHRNOTUMCYP1A2
SCHEMBL17952166 0.90 KDM4E (0.34) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952188 0.88 KDM4E (0.36) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952489 0.87 ALDH1A1 (0.34) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952168 0.87 NPSR1 (0.33) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952183 0.87 KDM4E (0.34) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952099 0.85 AR (0.32) KDM4EALDH1A1HPGDTSHRKMT2A
SCHEMBL17952181 0.85 KDM4E (0.33) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17952164 0.84 KDM4E (0.37) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL17947374 0.84 TSHR (0.34) KDM4EALDH1A1GAAHPGDALOX12

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-10418569-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-09-17 — — US disclosed
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2016-07-28 — — 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-10418569-B2 Organic electroluminescent materials and devices OCIAD2, OCIAD1, OSBP2 KDM4E 4426/4885ALDH1A1 1620/4885GAA 2911/4885
US-20160218303-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, OSBP2 KDM4E 4426/4885ALDH1A1 1620/4885GAA 2911/4885

“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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