SCHEMBL4858016

SCHEMBL4858016

O=C(CCl)Nc1cccc2c1CCCC2

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
MEN1 O00255 5/20 0.69
KMT2A Q03164 5/20 0.69
LMNA P02545 4/20 0.69
THRA P10827 1/20 0.69
THRB P10828 1/20 0.69
KDM4E B2RXH2 2/20 0.63
POLB P06746 1/20 0.63
L3MBTL1 Q9Y468 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.55
ATM Q13315 1/20 0.55
TSHR P16473 3/20 0.55
CYP3A4 P08684 2/20 0.54
CYP2C19 P33261 2/20 0.54
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50

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
SCHEMBL30514209 0.97 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL4866699 0.97 ALDH1A1 (0.67) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL3066269 0.84 ALDH1A1 (0.78) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL4005306 0.84 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL10800952 0.82 MEN1 (0.74) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL6318160 0.82 ALDH1A1 (0.68) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL6627140 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL6627142 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL3014533 0.80 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ALMNATHRA
SCHEMBL6187673 0.80 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ALMNATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11332452-B2 Pesticidal compositions and methods CORTEVA AGRISCIENCE LLC (US) 2022-05-17 US disclosed
US-11297838-B2 Pesticidal compositions and methods CORTEVA AGRISCIENCE LLC (US) 2022-04-12 US disclosed
US-20210282402-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2021-09-16 US disclosed
US-20210276963-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2021-09-09 US disclosed
WO-2020163146-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2020-08-13 WO disclosed
WO-2020139566-A1 PESTICIDAL COMPOSITIONS AND METHODS DOW AGROSCIENCES LLC (US) 2020-07-02 WO disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
US-3936293-A PLANT GROWTH REGULATORS CIBA-GEIGY CORPORATION (US) 1976-02-03 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-11297838-B2 Pesticidal compositions and methods ACHE, DDT, PLA2G2D ALDH1A1 762/4885MEN1 1670/4885KMT2A 1768/4885
US-20210276963-A1 PESTICIDAL COMPOSITIONS AND METHODS ACHE, DDT, PLA2G2D ALDH1A1 762/4885MEN1 1670/4885KMT2A 1768/4885
US-11332452-B2 Pesticidal compositions and methods ACHE, DDT, PLA2G2D ALDH1A1 762/4885MEN1 1670/4885KMT2A 1768/4885
US-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ALDH1A1 245/4885MEN1 3200/4885KMT2A 3201/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A ALDH1A1 281/4885MEN1 2899/4885KMT2A 3029/4885
US-20210282402-A1 PESTICIDAL COMPOSITIONS AND METHODS ACHE, DDT, PLA2G2D ALDH1A1 762/4885MEN1 1670/4885KMT2A 1768/4885

“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.