SCHEMBL7076310

SCHEMBL7076310

O=C(OCCCOc1c(Cl)cc(O)cc1Cl)c1ccsc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.44
SERPINE1 P05121 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
NR1H2 P55055 1/20 0.38
RNASEL Q05823 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLAU P00749 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CHRM1 P11229 1/20 0.36
SLC6A2 P23975 1/20 0.36
KDR P35968 1/20 0.36
ELANE P08246 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
SCHEMBL7245014 0.82 ESR1 (0.35) ESR1SERPINE1CES2CES1PLAU
SCHEMBL8658023 0.81 TDP1 (0.58) ESR1SERPINE1TSHRLMNACYP1A2
SCHEMBL7977471 0.80 HDAC1 (0.42) CES2CES1ALDH1A1GAA
SCHEMBL7979205 0.79 HDAC1 (0.43) GAAHDAC6
SCHEMBL7073022 0.79 L3MBTL1 (0.51) ESR1SERPINE1TSHRLMNACYP1A2
SCHEMBL8657702 0.79 TDP1 (0.63) ESR1TSHRLMNACYP1A2CYP2D6
SCHEMBL7071768 0.77 ALDH1A1 (0.48) LMNASMN1; SMN2ALDH1A1POLBL3MBTL1
SCHEMBL8408253 0.76 HRH3 (0.51) ESR1SERPINE1CES2CES1TSHR
SCHEMBL8409166 0.76 ESR1 (0.43) ESR1SERPINE1TSHRLMNACYP1A2
SCHEMBL1183367 0.75 CES2 (0.56) ESR1SERPINE1CES2CES1TSHR

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-6589914-B2 The dihalopropene compounds of the general formula (I) have excellent insecticidal/acaricidal activity, so that they are satisfactorily effective for the control of noxious insects, mites and ticks. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-07-08 US disclosed
US-20030073847-A1 Dihalopropene compounds, insecticidal/acaricidal agents containing same, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED 2003-04-17 US disclosed
US-6376428-B1 Dihalopropene compounds, insecticidal/acaricidal agents containing same, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-04-23 US disclosed
US-6268313-B1 CONTROLLING INSECTS, MITES, TICKS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-31 US disclosed
US-6071861-A FOR THE CONTROL OF NOXIOUS INSECTS, MITES AND TICKS SUMITOMO CHEMICAL COMPANY, INC. (JP) 2000-06-06 US disclosed
EP-0785923-B1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL CO (JP) 2000-04-05 EP disclosed
US-5922880-A CONTROLLING INSECTS, MITES AND TICKS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-07-13 US disclosed
EP-0785923-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1997-07-30 EP disclosed
WO-1996011909-A1 DIHALOPROPENE COMPOUNDS, INSECTICIDAL/ACARICIDAL AGENTS CONTAINING SAME, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-25 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 (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-20030073847-A1 Dihalopropene compounds, insecticidal/acaricidal agents containing same, and intermediates for their production DDT, DDC, AADAC ESR1 4522/4885SERPINE1 3186/4885CES2 356/4885

“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.