SCHEMBL855864

SCHEMBL855864

[C-]#[N+]Cc1ccc(CC)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 1/20 0.41
CYP2A6 P11509 2/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLAU P00749 1/20 0.37
TRPA1 O75762 1/20 0.36
MGLL Q99685 2/20 0.35
PLK1 P53350 1/20 0.35
IDO1 P14902 1/20 0.35
CYP1A2 P05177 1/20 0.34

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
SCHEMBL4890253 0.79 IDO1 (0.46) TP53TAAR1LMNACYP2A6ALDH1A1
SCHEMBL36295 0.76 TP53 (0.67) TP53TAAR1LMNACYP2A6LPL
SCHEMBL5672968 0.76 IDO1 (0.48) TAAR1LMNATRPA1IDO1
SCHEMBL3890376 0.74 TAAR1 (0.42) TAAR1CYP2A6ALDH1A1MAPK1IDO1
SCHEMBL12374395 0.74 ALDH1A1 (0.50) TP53ALDH1A1TSHRMAPK1TDP1
SCHEMBL11740256 0.74 ESR1 (0.50) TAAR1LMNAALDH1A1L3MBTL1CA2
SCHEMBL9888590 0.74 TP53 (0.43) TP53TAAR1LMNACYP2A6LPL
SCHEMBL4403988 0.73 TSHR (0.42) TP53LMNACA2TSHR
SCHEMBL1104002 0.73 IDO1 (0.52) TP53TAAR1ALDH1A1CA2TSHR
SCHEMBL7542835 0.73 TP53 (0.62) TP53TAAR1LMNACYP2A6LPL

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230275269-A1 ELECTROLYTE AND ELECTROCHEMICAL APPARATUS NINGDE AMPEREX TECHNOLOGY LIMITED (CN) 2023-08-31 US disclosed
US-9055749-B2 Insecticidal arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
EP-2432762-B1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2015-02-25 EP disclosed
US-20140024680-A1 Insecticidal Arylpyrrolines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-01-23 US disclosed
US-8410141-B2 Insecticidal arylpyrrolines BAYER CROPSCIENCE AG (DE) 2013-04-02 US disclosed
US-20120108635-A1 Insecticidal Arylpyrrolines BAYER CROPSCIENCE AG (DE) 2012-05-03 US disclosed
EP-2432762-A1 INSECTICIDAL ARYLPYRROLINES Bayer CropScience AG (DE) 2012-03-28 EP disclosed
WO-2010133336-A1 INSECTICIDAL ARYLPYRROLINES BAYER CROPSCIENCE AG (DE) 2010-11-25 WO 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-20140024680-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 TP53 4876/4885TAAR1 848/4885LMNA 3502/4885
US-20120108635-A1 Insecticidal Arylpyrrolines DDT, ACHE, CYP1A2 TP53 4876/4885TAAR1 848/4885LMNA 3502/4885

“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.