SCHEMBL13487162

SCHEMBL13487162

Cc1ccc(-c2ccc([N+](=O)[O-])cc2C(F)(F)F)c(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
ACHE P22303 2/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 2/20 0.47
AR P10275 6/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47
PDE7A Q13946 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
PTPRC P08575 1/20 0.43

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
SCHEMBL3207733 0.90 AR (0.53) ALDH1A1MEN1KMT2AMAPTACHE
Water SCHEMBL27993079 0.88 AR (0.52) ALDH1A1MEN1KMT2AMAPTACHE
SCHEMBL10937122 0.83 AKR1C3 (0.52) ALDH1A1MEN1KMT2AMAPTAR
SCHEMBL9298850 0.82 PTPRC (0.51) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL4050751 0.82 MAPT (0.47) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL30369258 0.81 POLB (0.65) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL10939165 0.81 AR (0.47) ALDH1A1ARAKR1C3AKR1C2PDE7A
SCHEMBL10938779 0.81 POLB (0.65) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL10030392 0.80 GLA (0.54) TSHRARAKR1C3AKR1C2CYP1A2
SCHEMBL28283181 0.80 AKR1C3 (0.63) ALDH1A1ARAKR1C3AKR1C2PDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100036167-A1 PROCESS FOR PRODUCTION OF 2,2'-BIS(TRIFLUOROMETHYL)-4,4'-DIAMINOBIPHENYL TORAY FINE CHEMICALS CO., LTD. (JP) 2010-02-11 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-20100036167-A1 PROCESS FOR PRODUCTION OF 2,2'-BIS(TRIFLUOROMETHYL)-4,4'-DIAMINOBIPHENYL DDT, DBF4, CYP4B1 ALDH1A1 701/4885MEN1 4169/4885KMT2A 594/4885

“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.