SCHEMBL18579593

SCHEMBL18579593

COC(C)c1ccc(C)cc1N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
TDP1 Q9NUW8 2/20 0.46
ALOX15 P16050 2/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.42
CA1 P00915 1/20 0.41
TRPA1 O75762 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
SLC6A2 P23975 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 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
SCHEMBL22897719 0.84 CYP3A4 (0.46) ALDH1A1CYP3A4TDP1ALOX15TP53
SCHEMBL11512649 0.82 CASP1 (0.41) ALDH1A1CYP3A4TDP1TP53LMNA
SCHEMBL5550929 0.81 TDP1 (0.56) ALDH1A1CYP3A4TDP1ALOX15TP53
SCHEMBL22897592 0.79 TDP1 (0.42) ALDH1A1CYP3A4TDP1ALOX15TP53
SCHEMBL8750414 0.79 TRPA1 (0.42) ALDH1A1TDP1TP53TRPA1LMNA
SCHEMBL3847726 0.79 TRPA1 (0.56) ALDH1A1CYP3A4TDP1ALOX15TP53
SCHEMBL22897598 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1THRBSMN1; SMN2
SCHEMBL29559621 0.78 ALDH1A1 (0.50) ALDH1A1CYP3A4TDP1THRBSMN1; SMN2
Hydrochloric Acid SCHEMBL11333303 0.77 TRPA1 (0.54) ALDH1A1CYP3A4TDP1ALOX15TP53
SCHEMBL12203806 0.76 LMNA (0.39) ALDH1A1TDP1SMN1; SMN2TRPA1LMNA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108025189-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2021-07-02 CN disclosed
EP-3344600-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-24 EP disclosed
EP-3344600-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-02-24 EP disclosed
EP-3344599-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 EP disclosed
EP-3344599-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 EP disclosed
CN-108290832-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-11-27 CN disclosed
CN-108137489-B Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2020-11-20 CN disclosed
CN-108290832-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-07-17 CN disclosed
EP-3344600-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-07-11 EP disclosed
EP-3344599-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO Dow Agrosciences LLC (US) 2018-07-11 EP disclosed
US-20170066757-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170066757-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170066757-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-09 US disclosed
WO-2017040191-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-09 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 (3 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-20170064961-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 443/4885CYP3A4 933/4885TDP1 683/4885
US-20170066757-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ALDH1A1 443/4885CYP3A4 933/4885TDP1 683/4885
US-20170064962-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD ALDH1A1 443/4885CYP3A4 933/4885TDP1 683/4885

“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.