SCHEMBL20045683

SCHEMBL20045683

NCCNC(=O)C(F)(F)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CA2 P00918 3/20 0.38
CA3 P07451 2/20 0.38
CA5A P35218 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
CA12 O43570 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA1 P00915 2/20 0.36
EPHX1 P07099 1/20 0.35
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
Hydrochloric Acid SCHEMBL29241483 0.98 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL28087298 0.87 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL20050529 0.87 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL20051724 0.85 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL29241535 0.85 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL29241624 0.84 SMN1; SMN2 (0.52) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL28439395 0.84 CA1 (0.51) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL67885 0.81 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL47344 0.81 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL5407882 0.79 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3971166-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND COMPOSITIONS, AND PROCESSES, RELATED THERETO Corteva Agriscience LLC (US) 2022-03-23 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 ALDH1A1 355/4885POLB 2498/4885SMN1; SMN2 3531/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 386/4885POLB 3689/4885SMN1; SMN2 3694/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD ALDH1A1 386/4885POLB 3689/4885SMN1; SMN2 3694/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 443/4885POLB 3630/4885SMN1; SMN2 3645/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD ALDH1A1 343/4885POLB 3690/4885SMN1; SMN2 3567/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 355/4885POLB 2498/4885SMN1; SMN2 3531/4885

“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.