SCHEMBL3444595

SCHEMBL3444595

CC/N=C(/C)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ LMNA P02545 4/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ G6PC1 P35575 1/20 0.47
▸ ATM Q13315 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ METTL3 Q86U44 1/20 0.42
▸ CES2 O00748 2/20 0.40
▸ CES1 P23141 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40

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
SCHEMBL3444597 1.00 CYP1A2 (0.61) CYP1A2CYP2D6HSD17B10LMNAMAPK1
SCHEMBL13107918 1.00 CYP1A2 (0.61) CYP1A2CYP2D6HSD17B10LMNAMAPK1
SCHEMBL6379708 0.82 CYP1A2 (0.57) CYP1A2CYP2D6HSD17B10LMNAMAPK1
SCHEMBL6379710 0.82 CYP1A2 (0.57) CYP1A2CYP2D6HSD17B10LMNAMAPK1
SCHEMBL7118032 0.79 CYP1A2 (0.53) CYP1A2CYP2D6HSD17B10LMNAMAPK1
SCHEMBL13009931 0.79 CYP1A2 (0.53) CYP1A2CYP2D6HSD17B10LMNAMAPK1
SCHEMBL7118034 0.79 CYP1A2 (0.53) CYP1A2CYP2D6HSD17B10LMNAMAPK1
SCHEMBL6377003 0.78 ATM (0.48) CYP1A2CYP2D6HSD17B10LMNAMAPK1
SCHEMBL15786315 0.77 CYP19A1 (0.45) CYP1A2CYP2D6HSD17B10LMNAL3MBTL1
SCHEMBL11618260 0.77 CYP1A2 (0.57) CYP1A2CYP2D6HSD17B10LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7816533-B2 Asymmetric imine hydrogenation processes ABDUR-RASHID KAMALUDDIN 2010-10-19 — — US disclosed
US-20070293681-A1 Asymmetric Imine Hydrogenation Processes ABDUR-RASHID KAMALUDDIN 2007-12-20 — — US disclosed
EP-1086941-B1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORP (JP) 2005-08-17 — — EP disclosed
WO-2005056513-A1 ASYMMETRIC IMINE HYDROGENATION PROCESSES ABDUR-RASHID KAMALUDDIN (CA) 2005-06-23 — — WO disclosed
US-6420613-B1 CHEMICAL REDUCTION WITH TRICHLOROSILANE TOKUYAMA CORPORATION (JP) 2002-07-16 — — US disclosed
EP-1086941-A1 PROCESS FOR PREPARING REDUCTANTS OF UNSATURATED ORGANIC COMPOUNDS BY THE USE OF TRICHLOROSILANE AND REDUCING AGENTS TOKUYAMA CORPORATION (JP) 2001-03-28 — — EP 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-20070293681-A1 Asymmetric Imine Hydrogenation Processes HRH3, HRH1, HRH4 CYP1A2 436/4885CYP2D6 631/4885HSD17B10 2347/4885

“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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