SCHEMBL20045609

SCHEMBL20045609

Nc1cc(Cl)c(F)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 7/20 0.42
CYP3A4 P08684 4/20 0.42
MAPT P10636 4/20 0.42
THRB P10828 3/20 0.42
CASP1 P29466 3/20 0.42
POLB P06746 3/20 0.42
RECQL P46063 2/20 0.42
CASP7 P55210 2/20 0.42
HSD17B10 Q99714 2/20 0.42
USP2 O75604 1/20 0.42
PKM P14618 1/20 0.42
APEX1 P27695 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
TNF P01375 1/20 0.42
HSPD1 P10809 1/20 0.42

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
SCHEMBL11652887 0.79 CYP3A4 (0.53) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL27964513 0.79 KEAP1 (0.44) TDP1KDM4EALDH1A1MAPTCASP1
SCHEMBL30739727 0.79 KDM4E (0.48) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL671650 0.79 KDM4E (0.48) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL11589938 0.78 AKR1C2 (0.64) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL10316128 0.78 KDM4E (0.53) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL8683261 0.77 KEAP1 (0.44) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL15903443 0.77 TYK2 (0.36) MEN1KMT2AALDH1A1CYP3A4THRB
SCHEMBL2810897 0.76 CYP3A4 (0.59) TDP1KDM4EMEN1KMT2AALDH1A1
SCHEMBL24157724 0.76 TDP1 (0.46) TDP1KDM4EMEN1KMT2AALDH1A1

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
CN-110072842-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2024-02-02 CN disclosed
EP-3964495-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow AgroSciences LLC (US) 2022-03-09 EP disclosed
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-06-03 US disclosed
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2021-05-04 US disclosed
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-06-06 US disclosed
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-23 US disclosed
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2019-04-16 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 US disclosed
US-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-12 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 (6 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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TDP1 638/4885KDM4E 1594/4885MEN1 912/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TDP1 738/4885KDM4E 1646/4885MEN1 915/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD TDP1 738/4885KDM4E 1646/4885MEN1 915/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD TDP1 683/4885KDM4E 1609/4885MEN1 1180/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD TDP1 657/4885KDM4E 1704/4885MEN1 1462/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TDP1 638/4885KDM4E 1594/4885MEN1 912/4885

“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.