SCHEMBL6490885

SCHEMBL6490885

NCCCCNC(=O)C(F)(F)F

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
POLB P06746 1/20 0.78
MEN1 O00255 1/20 0.75
KMT2A Q03164 1/20 0.75
CA3 P07451 3/20 0.67
CA5A P35218 3/20 0.67
CA5B Q9Y2D0 3/20 0.67
CA14 Q9ULX7 3/20 0.67
CA2 P00918 3/20 0.67
CA12 O43570 2/20 0.67
CA4 P22748 2/20 0.67
CA6 P23280 2/20 0.67
CA7 P43166 2/20 0.67
CA9 Q16790 2/20 0.67
EPHX1 P07099 1/20 0.62
PAOX Q6QHF9 2/20 0.52
HDAC6 Q9UBN7 1/20 0.47
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL19781069 0.98 MEN1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL5367616 0.98 MEN1 (0.79) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL29241679 0.98 SMN1; SMN2 (0.75) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL28974271 0.96 MEN1 (0.76) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3149189 0.93 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL11981741 0.92 CA5A (0.81) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL30387588 0.92 MEN1 (0.70) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL29241548 0.91 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL27889238 0.89 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL3302767 0.88 CA5A (0.81) ALDH1A1SMN1; SMN2POLBMEN1KMT2A

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 14 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
CN-110072842-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2019-07-30 CN 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
US-20160016989-A1 Synthetic Polymers Containing Amino Acid Side Chains CHIMEROCHEM LLC (US) 2016-01-21 US disclosed
US-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 US disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 US disclosed
EP-1296956-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA Pharma AG (DE) 2003-04-02 EP disclosed
WO-2001094319-A1 COMPOUNDS EFFECTIVE AS BETA-2-ADRENORECEPTOR AGONISTS AS WELL AS PDE4-INHIBITORS ALTANA PHARMA AG (DE) 2001-12-13 WO 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 (8 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 355/4885SMN1; SMN2 3531/4885POLB 2498/4885
US-20190166847-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 386/4885SMN1; SMN2 3694/4885POLB 3689/4885
US-10993440-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes related thereto ACHE, DDT, MLYCD ALDH1A1 386/4885SMN1; SMN2 3694/4885POLB 3689/4885
US-20210161144-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 443/4885SMN1; SMN2 3645/4885POLB 3630/4885
US-20160016989-A1 Synthetic Polymers Containing Amino Acid Side Chains DNPEP, NPEPPS, BCAT1 ALDH1A1 4685/4885SMN1; SMN2 3561/4885POLB 157/4885
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D ALDH1A1 397/4885SMN1; SMN2 1623/4885POLB 2287/4885
US-10258045-B2 Molecules having pesticidal utility and intermediates, compositions and processes related thereto ACHE, DDT, MLYCD ALDH1A1 343/4885SMN1; SMN2 3567/4885POLB 3690/4885
US-20190150452-A1 MOLECULES HAVEING PESTICIDAL UTILIY AND INTERMEDIATES, COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 355/4885SMN1; SMN2 3531/4885POLB 2498/4885

“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.