SCHEMBL20427770

SCHEMBL20427770

C=C(/C=C\C)N(CC)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TP53 P04637 2/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 1/20 0.39
▸ TRPM8 Q7Z2W7 1/20 0.37
▸ MAPT P10636 1/20 0.37

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
SCHEMBL18814886 0.84 ALDH1A1 (0.50) ALDH1A1GLATSHRTP53MEN1
SCHEMBL21301180 0.80 ALDH1A1 (0.46) ALDH1A1GLATSHRTP53MEN1
SCHEMBL10591288 0.79 CYP3A4 (0.64) ALDH1A1GLATSHRTP53CYP3A4
SCHEMBL23652017 0.77 MEN1 (0.34) ALDH1A1GLATSHRCYP3A4LMNA
SCHEMBL20172629 0.76 FAAH (0.42) ALDH1A1LMNAMEN1KMT2AL3MBTL1
SCHEMBL2557200 0.75 ALDH1A1 (0.61) ALDH1A1GLATSHRTP53CYP3A4
SCHEMBL11142657 0.75 ALDH1A1 (0.61) ALDH1A1GLATSHRTP53CYP3A4
Water SCHEMBL16335551 0.73 ALDH1A1 (0.59) ALDH1A1GLATSHRTP53CYP3A4
SCHEMBL21204252 0.73 ALDH1A1 (0.59) ALDH1A1GLATSHRTP53CYP3A4
SCHEMBL22163727 0.73 MEN1 (0.32) MEN1KMT2ATRPM8

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-20210159416-A1 LIGHT EMITTING DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-05-27 — — US disclosed
US-20210061794-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-03-04 — — US disclosed
US-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same DOOSAN CORPORATION (KR) 2018-07-31 — — 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-10038146-B2 Organic light-emitting compound and organic electroluminescent device using same IDO1, IDO2, KYNU ALDH1A1 458/4885GLA 786/4885TSHR 3344/4885
US-20210061794-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, TERT, TELO2 ALDH1A1 20/4885GLA 44/4885TSHR 4547/4885

“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.

Send feedback