SCHEMBL19681854

SCHEMBL19681854

C/C(=C\C=C\C(C)C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KDM4E B2RXH2 4/20 0.43
▸ CES2 O00748 1/20 0.40
▸ CES1 P23141 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ NAPRT Q6XQN6 1/20 0.39
▸ P4HTM Q9NXG6 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ KMT2A Q03164 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ NPC1 O15118 4/20 0.35
▸ PKM P14618 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ MAPT P10636 3/20 0.35
▸ TOP2A P11388 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL21279978 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ECES2CES1HTT
SCHEMBL20824986 0.81 ALDH1A1 (0.50) ALDH1A1KDM4ECES2CES1HTT
SCHEMBL25517284 0.79 ALDH1A1 (0.52) ALDH1A1KDM4ECES2CES1HTT
SCHEMBL13363919 0.78 ALDH1A1 (0.47) ALDH1A1KDM4ECES2CES1HTT
SCHEMBL19480611 0.77 ALDH1A1 (0.53) ALDH1A1KDM4ECES2CES1LMNA
SCHEMBL16315797 0.77 KDM4E (0.47) ALDH1A1KDM4ECES2CES1HTT
SCHEMBL19039480 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ECES2CES1HTT
SCHEMBL2554971 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ECES2CES1HTT
SCHEMBL2554972 0.75 ALDH1A1 (0.57) ALDH1A1KDM4ECES2CES1HTT
SCHEMBL10465175 0.75 ALDH1A1 (0.52) ALDH1A1KDM4ECES2CES1HTT

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-10319918-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD (KR) 2019-06-11 — — US disclosed
US-20170352814-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME DUPONT SPECIALTY MATERIALS KOREA LTD (KR) 2017-12-07 — — 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-10319918-B2 Organic electroluminescent compound and organic electroluminescent device comprising the same OR10J3, VDAC1, ICOSLG ALDH1A1 736/4885KDM4E 652/4885CES2 1348/4885
US-20170352814-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME OR10J3, VDAC1, ICOSLG ALDH1A1 736/4885KDM4E 652/4885CES2 1348/4885

“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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