SCHEMBL22198907

SCHEMBL22198907

Cc1cccc2c1N(c1cccc(OI)c1C)[C@@H](C)N2C

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 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
SCHEMBL22198979 0.83 HTR1A (0.30) —
SCHEMBL22199127 0.78 KDM4E (0.33) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL22198976 0.71 KDM4E (0.33) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL22477352 0.71 KDM4E (0.33) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL21041374 0.71 LMNA (0.43) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL12092106 0.69 ALDH1A1 (0.43) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL16421536 0.69 ALDH1A1 (0.43) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL13951742 0.69 ALDH1A1 (0.40) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL13875974 0.68 ALDH1A1 (0.39) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL18727363 0.67 MAPT (0.50) KDM4EALDH1A1GAA

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-11814403-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2023-11-14 — — US disclosed
US-20200216481-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-07-09 — — 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-11814403-B2 Organic electroluminescent materials and devices PDCD1, TEC, PDCD4 KDM4E 2995/4885ALDH1A1 863/4885GAA 4318/4885
US-20200216481-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES PDCD1, TEC, PDCD4 KDM4E 2995/4885ALDH1A1 863/4885GAA 4318/4885

“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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