SCHEMBL20414941

SCHEMBL20414941

C=C(/N=C(\C)c1ccc(C(F)(F)F)cc1C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CES2 O00748 2/20 0.36
▸ MTOR P42345 2/20 0.35
▸ CFTR P13569 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ SORT1 Q99523 2/20 0.32
▸ GSTP1 P09211 1/20 0.32

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
SCHEMBL20414962 0.88 TDP1 (0.36) ALDH1A1KDM4EHPGDHSD17B10RXRB
SCHEMBL21297363 0.82 PDE2A (0.40) PDE2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL19139880 0.77 CES2 (0.42) PDE2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18611579 0.77 CES2 (0.44) PDE2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18291815 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10RXRA
SCHEMBL14048578 0.68 PTGS1 (0.44) PDE2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL24440730 0.67 CES2 (0.39) PDE2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL18075688 0.67 NPSR1 (0.41) PDE2AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL424990 0.66 RXRB (0.70) ALDH1A1KDM4EHPGDHSD17B10RXRA
SCHEMBL3023134 0.66 CES2 (0.53) PDE2AALDH1A1KDM4EHPGDHSD17B10

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-20180212161-A1 IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME NATIONAL TSING HUA UNIVERSITY (TW) 2018-07-26 — — 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-20180212161-A1 IRIDIUM COMPLEX AND ORGANIC LIGHT-EMITTING DIODE USING THE SAME OCIAD1, OGFOD1, OGDH PDE2A 4752/4885ALDH1A1 169/4885KDM4E 4721/4885

“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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