SCHEMBL660134

SCHEMBL660134

O=Cc1cc(C(F)(F)F)cc(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HIF1A Q16665 1/20 0.35
TXNRD1 Q16881 1/20 0.35
TXNRD3 Q86VQ6 1/20 0.35
TXNRD2 Q9NNW7 1/20 0.35
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
ERN1 O75460 2/20 0.33
PDE2A O00408 1/20 0.33
CES2 O00748 1/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRP O00591 1/20 0.32

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
SCHEMBL30711864 1.00 TDP1 (0.35) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL8401591 0.82 ALDH1A1 (0.40) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL29937091 0.82 ALOX5AP (0.37) ERN1PDE2ACES2ALOX5APFEN1
SCHEMBL660083 0.79 ERN1 (0.58) TDP1ALDH1A1LMNAKMT2AERN1
SCHEMBL22366835 0.79 TDP1 (0.38) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL668872 0.79 PDE2A (0.41) TDP1ALDH1A1CYP3A4HPGDALOX15
SCHEMBL30711834 0.78 CES2 (0.36) ERN1CES2ALOX5APFEN1POLB
SCHEMBL18795635 0.78 CES2 (0.36) ERN1CES2ALOX5APFEN1POLB
SCHEMBL18299296 0.78 ALDH1A1 (0.34) ALDH1A1TSHRLMNAERN1CES2
SCHEMBL9340592 0.77 CYP2D6 (0.38) TDP1ALDH1A1CYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642802-B2 Process for the preparation of halogenated benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2014-02-04 US claimed
EP-2310349-B1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2013-04-24 EP claimed
US-20120330055-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES BACHMANN STEPHAN (CH) 2012-12-27 US claimed
US-8329939-B2 Process for the preparation of halogenated benzoic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US claimed
US-20120130121-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES BACHMANN STEPHAN (CH) 2012-05-24 US claimed
EP-2310349-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-04-20 EP claimed
WO-2009147068-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-12-10 WO claimed
US-20090306423-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES HOFFMANN-LA ROCHE, INC. 2009-12-10 US claimed
EP-3558298-B1 ANTIDIABETIC SPIROCHROMAN COMPOUNDS MERCK SHARP & DOHME LLC (US) 2026-03-11 EP disclosed
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii HOFFMANN-LA ROCHE INC. (US) 2024-06-18 US disclosed
CN-110366556-B Antibacterial peptide macrocyclic compounds and uses thereof 豪夫迈·罗氏有限公司 2024-01-05 CN disclosed
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII HOFFMANN-LA ROCHE INC. (US) 2022-12-29 US disclosed
EP-3609904-B1 ANTI-BACTERIAL PEPTIDE MACROCYCLES AND USE THEREOF HOFFMANN LA ROCHE (CH) 2022-11-30 EP disclosed
CN-108350028-B Peptide macrocycles against Acinetobacter baumannii 豪夫迈·罗氏有限公司 2021-12-07 CN disclosed
EP-1687641-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS Acadia Pharmaceuticals Inc. (US) 2006-08-09 EP disclosed
EP-1551849-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2005-07-13 EP disclosed
US-20050136444-A1 Treating neuropathic pain with neuropeptide FF receptor 2 agonists ACADIA PHARMACEUTICALS INC. 2005-06-23 US disclosed
WO-2005031000-A2 TREATING NEUROPATHIC PAIN WITH NEUROPEPTIDE FF RECEPTOR 2 AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2005-04-07 WO disclosed
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents ZOETIS SERVICES LLC 2004-08-19 US disclosed
WO-2004031195-A1 TRICYCLIC TETRAHYDROQUINOLINE ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-04-15 WO 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 (6 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-20090306423-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, CYP3A5, GABRA5 TDP1 4059/4885ALDH1A1 294/4885CYP3A4 44/4885
US-20220411468-A1 PEPTIDE MACROCYCLES AGAINST ACINETOBACTER BAUMANNII VIP, ARG1, CX3CR1 TDP1 4511/4885ALDH1A1 4290/4885CYP3A4 3315/4885
US-20120330055-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, GABRA5, CYP3A5 TDP1 4066/4885ALDH1A1 283/4885CYP3A4 46/4885
US-12012466-B2 Peptide macrocycles against Acinetobacter baumannii VIP, ARG1, CX3CR1 TDP1 4511/4885ALDH1A1 4290/4885CYP3A4 3315/4885
US-20040162279-A1 Tricyclic tetrahydroquinoline antibacterial agents QTRT1, QTRT2, NQO2 TDP1 1527/4885ALDH1A1 1420/4885CYP3A4 115/4885
US-20120130121-A1 PROCESS FOR THE PREPARATION OF HALOGENATED BENZOIC ACID DERIVATIVES CYP2F1, GABRA5, CYP3A5 TDP1 4066/4885ALDH1A1 283/4885CYP3A4 46/4885

“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.