SCHEMBL18157863

SCHEMBL18157863

Cc1cc(C2C(C(=O)O)C2(Cl)Cl)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.54
HTT P42858 4/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTR7 P34969 1/20 0.36

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
SCHEMBL20045619 1.00 SLC9A1 (0.54) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL20045114 1.00 SLC9A1 (0.54) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL18157858 0.88 HTT (0.44) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL18147111 0.86 MEN1 (0.44) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL18147109 0.86 MEN1 (0.44) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL24281677 0.86 MEN1 (0.44) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL18147105 0.86 MEN1 (0.44) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL30739805 0.86 MEN1 (0.44) SLC9A1HTTLMNAHPGDMEN1
SCHEMBL18147990 0.85 SLC9A1 (0.53) SLC9A1HTTLMNAMEN1KMT2A
SCHEMBL21015238 0.85 SLC9A1 (0.53) SLC9A1HTTLMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230180761-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-06-15 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-20180099919-A1 PROCESS FOR THE PREPARATION OF (1R,3R)- AND (1S,3S)-2,2-DIHALO-3-(SUBSTITUTED PHENYL)CYCLOPROPANECARBOXYLIC ACIDS DOW AGROSCIENCES LLC (US) 2018-04-12 US disclosed
US-9781935-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 US disclosed
US-20160304522-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2016-10-20 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 (4 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 SLC9A1 3402/4885HTT 4249/4885LMNA 3330/4885
US-20180099919-A1 PROCESS FOR THE PREPARATION OF (1R,3R)- AND (1S,3S)-2,2-DIHALO-3-(SUBSTITUTED PHENYL)CYCLOPROPANECARBOXYLIC ACIDS CYP2S1, DECR1, DDC SLC9A1 1673/4885HTT 1520/4885LMNA 2112/4885
US-20160304522-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD SLC9A1 3136/4885HTT 4145/4885LMNA 3364/4885
US-20230180761-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD SLC9A1 3136/4885HTT 4145/4885LMNA 3364/4885

“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.