SCHEMBL22198976

SCHEMBL22198976

CC1=CN(c2cccc(OI)c2C)[C@@H](C)N1C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX12 P18054 1/20 0.33

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
SCHEMBL22477352 1.00 KDM4E (0.33) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL22198978 0.81 — —
SCHEMBL23813506 0.73 ALDH1A1 (0.36) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL12349374 0.73 ALDH1A1 (0.36) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL22198907 0.71 KDM4E (0.35) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL22199127 0.70 KDM4E (0.33) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL21041371 0.64 MAPT (0.36) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL22198979 0.63 HTR1A (0.30) —
SCHEMBL17952617 0.62 CYP1A2 (0.36) KDM4EALDH1A1GAAHPGDALOX12
SCHEMBL12349381 0.62 ADORA3 (0.31) —

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 3 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-20210284672-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-09-16 — — 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 (3 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-20210284672-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES PDCD1, TEC, PDCD4 KDM4E 2942/4885ALDH1A1 870/4885GAA 4316/4885
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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