SCHEMBL4416018

SCHEMBL4416018

Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
GAA P10253 2/20 0.55
ALDH1A1 P00352 7/20 0.55
TSHR P16473 3/20 0.55
CYP3A4 P08684 3/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.55
HIF1A Q16665 1/20 0.55
TXNRD1 Q16881 1/20 0.55
TXNRD3 Q86VQ6 1/20 0.55
TXNRD2 Q9NNW7 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RECQL P46063 1/20 0.55
KDM4E B2RXH2 1/20 0.54
MAPT P10636 7/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL29558887 0.87 ALDH1A1 (0.53) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL20693074 0.87 ALDH1A1 (0.53) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL3778792 0.87 MAPK1 (0.55) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL30822033 0.87 MAPK1 (0.55) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL1095903 0.86 ALDH1A1 (0.51) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL4089390 0.83 NPC1 (0.60) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL29588338 0.83 NPC1 (0.60) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL18156076 0.83 ALDH1A1 (0.49) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL29942185 0.82 ALDH1A1 (0.60) MAPK1GAAALDH1A1TSHRCYP3A4
SCHEMBL7240751 0.82 ALDH1A1 (0.60) MAPK1GAAALDH1A1TSHRCYP3A4

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 133 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036661-A Synthesis method of 2,2' -di (trifluoromethyl) -4,4', 5' -biphenyl dianhydride 大连新阳光材料科技有限公司 2026-05-15 CN claimed
CN-114907232-B Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile 青岛和兴精细化学有限公司 2024-02-23 CN claimed
CN-114907232-A Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile 青岛和兴精细化学有限公司 2022-08-16 CN claimed
JP-2045451-A None JP disclosed
CN-122036661-A Synthesis method of 2,2' -di (trifluoromethyl) -4,4', 5' -biphenyl dianhydride 大连新阳光材料科技有限公司 2026-05-15 CN disclosed
CN-122036661-A Synthesis method of 2,2' -di (trifluoromethyl) -4,4', 5' -biphenyl dianhydride 大连新阳光材料科技有限公司 2026-05-15 CN disclosed
CN-120463620-B Continuous preparation method of 3-nitro-4-cyano benzotrifluoride 昌邑泰和新材料科技有限公司 2025-09-23 CN disclosed
CN-120463620-A Continuous preparation method of 3-nitro-4-cyano benzotrifluoride 昌邑泰和新材料科技有限公司 2025-08-12 CN disclosed
CN-114907232-B Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile 青岛和兴精细化学有限公司 2024-02-23 CN disclosed
CN-114907232-B Synthesis process of 2-nitro-4-trifluoromethyl benzonitrile 青岛和兴精细化学有限公司 2024-02-23 CN disclosed
US-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR FUKANG (SHANGHAI) HEALTH TECHNOLOGY CO., LTD (CN) 2024-01-18 US disclosed
US-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed
US-5380865-A Halogen substituents MAY & BAKER LIMITED (GB) 1995-01-10 US disclosed
CN-1024887-C 2-phenylimidazole derivative-containing pesticide MAY & BAKER LTD (GB) 1994-06-08 CN disclosed
US-5292760-A 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1994-03-08 US disclosed
US-5206257-A Controlling plant nematodes, helminth, protozoa MAY & BAKER LIMITED (GB) 1993-04-27 US disclosed
JP-H0245451-A PRODUCTION OF NITRORIFLUOROMETHYLTOLUENE CENTRAL GLASS CO LTD 1990-02-15 JP disclosed
CN-1030577-A Disinsection method with 2-phenylimidazole derivative MAY & BAKER CO LTD (GB) 1989-01-25 CN disclosed
EP-0283173-A1 Pesticidal method using 2-phenylimidazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-09-21 EP disclosed
US-4132737-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1979-01-02 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-20240016775-A1 ANTI-CORONAVIRUS APPLICATION OF POLY ADP RIBOSE POLYMERASE INHIBITOR PARP3, PARP1, PARP4 MAPK1 1528/4885GAA 486/4885ALDH1A1 1311/4885

“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.