SCHEMBL21587435

SCHEMBL21587435

O=C(O)[C@H]1C(c2cc(Cl)cc(Cl)c2)C1(Cl)Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 2/20 0.47
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.39
TPMT P51580 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 4/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
NOTUM Q6P988 1/20 0.38
CYP1A2 P05177 1/20 0.37

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
SCHEMBL18143824 1.00 SLC9A1 (0.47) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL18147577 1.00 SLC9A1 (0.47) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL18143826 1.00 SLC9A1 (0.47) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL18143821 1.00 SLC9A1 (0.47) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL18147579 1.00 SLC9A1 (0.47) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL21019046 0.90 HCAR1 (0.42) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL18144069 0.88 MEN1 (0.44) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL21586978 0.88 MEN1 (0.44) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL18144156 0.88 SLC9A1 (0.39) SLC9A1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL21018775 0.88 MEN1 (0.44) SLC9A1MEN1KMT2ANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117098750-A Molecules having pesticidal utility, and intermediates and methods related thereto 科迪华农业科技有限责任公司 2023-11-21 CN disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
EP-3578541-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITION, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2019-12-11 EP 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-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD SLC9A1 3136/4885MEN1 1180/4885KMT2A 2615/4885

“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.