SCHEMBL7605663

SCHEMBL7605663

O=C(Cl)c1ccccc1-c1ccc(CF)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ LTB4R2 Q9NPC1 13/20 0.44
▸ AGTR1 P30556 1/20 0.42
▸ BCAT2 O15382 1/20 0.42
▸ SLC6A4 P31645 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
Hydrochloric Acid SCHEMBL7605670 0.83 LTB4R2 (0.57) LTB4R2AGTR1
SCHEMBL14132409 0.83 LTB4R2 (0.49) ALDH1A1LTB4R2AGTR1BCAT2SLC6A4
SCHEMBL27907961 0.83 TAAR1 (0.47) ALDH1A1ALOX15LTB4R2BCAT2SLC6A4
SCHEMBL7605043 0.80 SLC6A3 (0.62) ALDH1A1ALOX15LTB4R2BCAT2SLC6A4
SCHEMBL8692647 0.80 PPARG (0.49) LTB4R2AGTR1
SCHEMBL18825620 0.80 BCAT2 (0.59) ALDH1A1ALOX15BCAT2SLC6A4SLC6A3
SCHEMBL229441 0.79 BCAT2 (0.63) ALDH1A1ALOX15BCAT2SLC6A4SLC6A3
SCHEMBL8871967 0.79 SLC6A3 (0.69) LTB4R2AGTR1SLC6A4SLC6A3
SCHEMBL29697585 0.78 BCAT2 (0.47) ALDH1A1ALOX15LTB4R2BCAT2SLC6A4
SCHEMBL28640320 0.78 SLC6A3 (0.64) ALDH1A1ALOX15LTB4R2BCAT2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 — — US disclosed
US-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-03-14 — — 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-20020032238-A1 Biphenylcarboxylic acid amides, the preparation thereof and the use thereof as medicaments MTTP, CETP, FABP1 ALDH1A1 190/4885ALOX15 589/4885LTB4R2 1837/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP ALDH1A1 603/4885ALOX15 560/4885LTB4R2 376/4885

“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.

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