SCHEMBL3730157

SCHEMBL3730157

O=CC(=Cc1ccccc1C(F)(F)F)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.44
MAOB P27338 7/20 0.43
P4HB P07237 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PKM P14618 1/20 0.43
ATM Q13315 1/20 0.43
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
TNF P01375 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
SCHEMBL4631738 1.00 NFKB1 (0.44) NFKB1MAOBP4HBABCG2MAPT
SCHEMBL3730154 1.00 NFKB1 (0.44) NFKB1MAOBP4HBABCG2MAPT
SCHEMBL9683251 0.89 NFKB1 (0.47) NFKB1MAOBP4HBABCG2MAPT
SCHEMBL9683247 0.89 NFKB1 (0.47) NFKB1MAOBP4HBABCG2MAPT
SCHEMBL3664843 0.80 MAOB (0.41) NFKB1MAOBP4HBABCG2MAPT
SCHEMBL3664844 0.80 MAOB (0.41) NFKB1MAOBP4HBABCG2MAPT
SCHEMBL3720477 0.78 MAPT (0.51) MAOBMAPTNPC1RAB9AATM
SCHEMBL3720479 0.78 MAPT (0.51) MAOBMAPTNPC1RAB9AATM
SCHEMBL9724966 0.78 ALDH1A1 (0.44) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL9682656 0.78 ALDH1A1 (0.44) MAPTNPC1RAB9ALMNAMEN1

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
EP-2393795-B1 METHOD FOR PRODUCING HYDROXYMETHYL DIPHENYLOXIRANES AND CORRESPONDING 1-AZOLYLMETHYL-1,2-DIPHENYLOXIRANES BASF SE (DE) 2012-12-26 EP disclosed
EP-2393795-A1 METHOD FOR PRODUCING HYDROXYMETHYL DIPHENYLOXIRANES AND CORRESPONDING 1-AZOLYLMETHYL-1,2-DIPHENYLOXIRANES BASF SE (DE) 2011-12-14 EP disclosed
WO-2010089353-A1 METHOD FOR PRODUCING HYDROXYMETHYL DIPHENYLOXIRANES AND CORRESPONDING 1-AZOLYLMETHYL-1,2-DIPHENYLOXIRANES BASF SE (DE) 2010-08-12 WO disclosed
US-7276632-B2 Method for the production of 2,3-cis-substituted 2-aryl propenals BASF AKTIENGESELLSCHAFT (DE) 2007-10-02 US disclosed
US-20070093681-A1 Method for the production of 2,3-cis-substituted 2-aryl propenals BASF AKTIENGESELLSCHAFT (DE) 2007-04-26 US disclosed
US-5098917-A And process for killing fungi BASF AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
US-5028618-A Imidazole oxirane compounds BASF AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
US-4940717-A Fungicidal imidazolylmethyloxiranes BASF AKTIENGESELLSCHAFT (DE) 1990-07-10 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-20070093681-A1 Method for the production of 2,3-cis-substituted 2-aryl propenals CBR3, ALDH3A1, CYP2J2 NFKB1 1285/4885MAOB 2501/4885P4HB 238/4885

“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.