SCHEMBL13417454

SCHEMBL13417454

Clc1cc(BCc2ccccc2)cc(Cl)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.33
▸ TDP1 Q9NUW8 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CALM1 P0DP23 1/20 0.32
▸ HSP90AA1 P07900 3/20 0.32
▸ PPARG P37231 2/20 0.32
▸ PPARA Q07869 2/20 0.32
▸ S1PR1 P21453 1/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ TSHR P16473 1/20 0.30
▸ MAPK1 P28482 1/20 0.30

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
SCHEMBL275277 0.75 CALM1 (0.43) TDP1ALDH1A1CALM1HPGDALOX15
SCHEMBL13994371 0.67 PLA2G1B (0.40) ALDH1A1CALM1PPARGPPARAKMT2A
SCHEMBL2686945 0.67 TAAR1 (0.41) PPARGPPARAP2RX7MEN1KMT2A
SCHEMBL3196407 0.64 ALOX5 (0.53) MEN1KMT2AHIF1A
SCHEMBL10665160 0.63 TSHR (0.58) ALDH1A1CYP3A4HPGDHIF1AHSD17B10
SCHEMBL6347147 0.63 LMNA (0.42) TDP1ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL6349027 0.63 PLA2G1B (0.40) ALDH1A1
SCHEMBL11344330 0.62 CALM1 (0.50) TDP1ALDH1A1CALM1HPGDALOX15
SCHEMBL4458296 0.61 AHR (0.64) ALDH1A1HSP90AA1MEN1KMT2ACYP3A4
(Chloromethyl)Benzene SCHEMBL11741126 0.61 DRD2 (0.44) SIGMAR1P2RX7TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7671055-B2 surprisingly active in the control of insects and acarids; admixture with pesticides, plant growth regulators, fertilizers and soil conditioners FMC CORPORATION (US) 2010-03-02 — — US disclosed
US-7671055-B2 surprisingly active in the control of insects and acarids; admixture with pesticides, plant growth regulators, fertilizers and soil conditioners FMC CORPORATION (US) 2010-03-02 — — US disclosed
US-20080261993-A1 Insecticidal 3-(Dihaloalkenyl) Phenyl Derivatives BAYER CROPSCIENCE AG (DE) 2008-10-23 — — US disclosed
US-20080261993-A1 Insecticidal 3-(Dihaloalkenyl) Phenyl Derivatives BAYER CROPSCIENCE AG (DE) 2008-10-23 — — 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-20080261993-A1 Insecticidal 3-(Dihaloalkenyl) Phenyl Derivatives DDT, L3MBTL4, L3MBTL3 SIGMAR1 2674/4885TDP1 1665/4885ALDH1A1 1084/4885

“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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