SCHEMBL20051056

SCHEMBL20051056

CC1C(c2cc(C(F)(F)F)cc(Cl)c2F)C1(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.32
HTR2C P28335 4/20 0.31
HTR2B P41595 4/20 0.31
HTR2A P28223 3/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
SLC6A4 P31645 1/20 0.30

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
SCHEMBL20076435 0.80 PDE2A (0.31) PDE2A
SCHEMBL29425629 0.78 FFAR4 (0.33) GABRA2GABRB2
SCHEMBL20045576 0.78 FFAR4 (0.33) GABRA2GABRB2
SCHEMBL21079056 0.75 HTR2A (0.32) PDE2AHTR2CHTR2BHTR2AGABRA2
SCHEMBL668872 0.72 PDE2A (0.41) PDE2AGABRA2GABRB2
SCHEMBL30527263 0.72 CES2 (0.33)
SCHEMBL20050347 0.70
SCHEMBL10262533 0.69 PDE2A (0.40) PDE2AGABRA2GABRB2
Fluoride Ion SCHEMBL10713269 0.68 PDE2A (0.38) PDE2AGABRA2GABRB2
SCHEMBL1531168 0.67 PDE2A (0.37) PDE2AGABRA2GABRB2

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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 PDE2A 15/4885HTR2C 3216/4885HTR2B 2098/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD PDE2A 79/4885HTR2C 3516/4885HTR2B 3051/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD PDE2A 33/4885HTR2C 3474/4885HTR2B 2915/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD PDE2A 52/4885HTR2C 3789/4885HTR2B 3114/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD PDE2A 15/4885HTR2C 3216/4885HTR2B 2098/4885

“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.