SCHEMBL7929417

SCHEMBL7929417

O=C(Cl)c1cc(Cl)c(F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
ALOX15 P16050 1/20 0.45
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HPGD P15428 3/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM1A O60341 2/20 0.38
KDM1B Q8NB78 1/20 0.38
PLAU P00749 1/20 0.37
ELANE P08246 1/20 0.37
SLC9A1 P19634 1/20 0.36
PYGL P06737 1/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SLC2A1 P11166 1/20 0.35

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
SCHEMBL1180396 0.91 ALDH1A1 (0.45) ALDH1A1ALOX15POLBAPEX1HPGD
SCHEMBL3820327 0.88 POLB (0.53) ALDH1A1ALOX15POLBAPEX1HPGD
SCHEMBL9793665 0.86 ALDH1A1 (0.45) ALDH1A1ALOX15POLBAPEX1HPGD
SCHEMBL30180915 0.86 ALDH1A1 (0.45) ALDH1A1ALOX15POLBAPEX1HPGD
SCHEMBL101268 0.85 TSHR (0.42) ALDH1A1ALOX15POLBHPGDTSHR
SCHEMBL7931028 0.84 ALDH1A1 (0.46) ALDH1A1ALOX15POLBAPEX1HPGD
SCHEMBL364382 0.82 KEAP1 (0.48) ALDH1A1POLBAPEX1HPGDTSHR
SCHEMBL13445696 0.81 ALDH1A1 (0.41) ALDH1A1ALOX15POLBAPEX1HPGD
SCHEMBL15385122 0.81 POLB (0.43) ALDH1A1ALOX15POLBAPEX1HPGD
SCHEMBL1312984 0.80 TSHR (0.39) ALDH1A1ALOX15POLBHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11161818-B2 Quinolone derivatives, preparation methods and application thereof HANGZHOU NORMAL UNIVERSITY (CN) 2021-11-02 US disclosed
US-20210198207-A1 QUINOLONE DERIVATIVES, PREPARATION METHODS AND APPLICATION THEREOF HANGZHOU NORMAL UNIVERSITY (CN) 2021-07-01 US disclosed
EP-1140735-A1 PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040524-A1 PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2000-07-13 WO disclosed
US-5981789-A CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD OCCIDENTAL CHEMICAL CORPORATION (US) 1999-11-09 US disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 EP disclosed
US-4470930-A Preparation of nuclear chlorinated aromatic compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1984-09-11 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 (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-11161818-B2 Quinolone derivatives, preparation methods and application thereof NQO2, MRPL21, TOP1 ALDH1A1 3449/4885ALOX15 3493/4885POLB 411/4885
US-20210198207-A1 QUINOLONE DERIVATIVES, PREPARATION METHODS AND APPLICATION THEREOF NQO2, MRPL21, TOP1 ALDH1A1 3449/4885ALOX15 3493/4885POLB 411/4885

“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.