SCHEMBL29928895

SCHEMBL29928895

CC(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPK1 P28482 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
RORC P51449 1/20 0.46
P2RX1 P51575 1/20 0.46
TMPRSS4 Q9NRS4 1/20 0.46
PDE7A Q13946 1/20 0.46
KMT2A Q03164 5/20 0.45
MEN1 O00255 3/20 0.45
LMNA P02545 3/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 5/20 0.45
HTT P42858 2/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 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
SCHEMBL20568110 1.00 ALDH1A1 (0.48) ALDH1A1MAPK1CA12CA9RORC
SCHEMBL18163161 0.87 RORC (0.49) ALDH1A1MAPK1CA12CA9RORC
SCHEMBL102797 0.87 ALDH1A1 (0.60) ALDH1A1MAPK1RORCPDE7AKMT2A
Hydrochloric Acid SCHEMBL3141636 0.85 ALDH1A1 (0.58) ALDH1A1MAPK1RORCPDE7AKMT2A
SCHEMBL5182501 0.84 KMT2A (0.59) ALDH1A1MAPK1RORCPDE7AKMT2A
SCHEMBL3141628 0.84 RORC (0.49) ALDH1A1MAPK1RORCP2RX1TMPRSS4
SCHEMBL16045437 0.83 L3MBTL1 (0.60) ALDH1A1MAPK1RORCPDE7AKMT2A
SCHEMBL2152528 0.83 ALDH1A1 (0.48) ALDH1A1MAPK1RORCP2RX1TMPRSS4
SCHEMBL29250813 0.81 RORC (0.44) ALDH1A1MAPK1CA12CA9RORC
SCHEMBL16915502 0.81 ALDH1A1 (0.43) ALDH1A1MAPK1RORCPDE7AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF MAXUNITECH INC (CN) 2025-02-20 US claimed
EP-4524127-A1 METHOD FOR PREPARING 4-NITRO-2-TRIFLUOROMETHYL ACETOPHENONE AND USE THEREOF Maxunitech Inc. (CN) 2025-03-19 EP disclosed
US-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF MAXUNITECH INC (CN) 2025-02-20 US disclosed
US-20250051260-A1 METHOD FOR PREPARING 4-NITRO-2-(TRIFLUOROMETHYL)ACETOPHENONE AND APPLICATION THEREOF MAXUNITECH INC (CN) 2025-02-13 US disclosed
CN-115052853-B Process for preparing 1- [ 4-nitro-2- (trifluoromethyl) phenyl ] alkanone 巴斯夫农业公司 2024-10-25 CN disclosed
EP-4103540-A1 PROCESS FOR THE PREPARATION OF 1-[4-NITRO-2-(TRIFLUOROMETHYL)PHENYL]-ALKANONES BASF Agro B.V. (NL) 2022-12-21 EP disclosed
CN-115052853-A Preparation method of 1- [ 4-nitro-2- (trifluoromethyl) phenyl ] alkanone 巴斯夫农业公司 2022-09-13 CN 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-20250059132-A1 METHOD FOR PREPARING 2-SUBSTITUTED ARYLACETONITRILE COMPOUND AND APPLICATION THEREOF CYP1B1, CYP1A2, CYP2C9 ALDH1A1 209/4885MAPK1 1760/4885CA12 1579/4885
US-20250051260-A1 METHOD FOR PREPARING 4-NITRO-2-(TRIFLUOROMETHYL)ACETOPHENONE AND APPLICATION THEREOF NOX4, NQO1, NDUFV1 ALDH1A1 154/4885MAPK1 3381/4885CA12 1881/4885

“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.