SCHEMBL20045577

SCHEMBL20045577

Cc1cc(C2C(C(=O)O)C2(Cl)Cl)cc(C)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
SLC9A1 P19634 3/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL23466010 0.92 HTT (0.39) HTTLMNAHPGDMEN1KMT2A
SCHEMBL23466015 0.92 HTT (0.39) HTTLMNAHPGDMEN1KMT2A
SCHEMBL23465651 0.90 HTT (0.37) HTTLMNAHPGDMEN1KMT2A
SCHEMBL20050345 0.87 HTT (0.36) HTTLMNAHPGDMEN1KMT2A
SCHEMBL29425604 0.87 HTT (0.36) HTTLMNAHPGDMEN1KMT2A
SCHEMBL20045579 0.84 HTT (0.38) HTTLMNAHPGDMEN1KMT2A
SCHEMBL21586906 0.83 MEN1 (0.40) HTTLMNAHPGDMEN1KMT2A
SCHEMBL18154462 0.83 MEN1 (0.40) HTTLMNAHPGDMEN1KMT2A
SCHEMBL20045677 0.83 MEN1 (0.40) HTTLMNAHPGDMEN1KMT2A
SCHEMBL20045678 0.83 MEN1 (0.40) HTTLMNAHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20180098541-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD HTT 4249/4885LMNA 3330/4885HPGD 688/4885

“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.