SCHEMBL11903035

SCHEMBL11903035

CC(C)(C)OC(=O)C=Cc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 1/20 0.39
▸ XPO1 O14980 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ STAT3 P40763 1/20 0.37
▸ IP6K1 Q92551 1/20 0.37
▸ IP6K3 Q96PC2 1/20 0.37
▸ IP6K2 Q9UHH9 1/20 0.37
▸ ESR1 P03372 3/20 0.36
▸ BCHE P06276 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
SCHEMBL11903030 1.00 GPR119 (0.39) GPR119XPO1HDAC1HDAC8HDAC3
SCHEMBL16073124 0.87 CA12 (0.43) XPO1HDAC1HDAC8HDAC3HDAC4
SCHEMBL16030292 0.87 IP6K1 (0.48) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL16030289 0.87 IP6K1 (0.48) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL16030404 0.81 STAT3 (0.38) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL16030403 0.81 STAT3 (0.38) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL26649442 0.81 HDAC1 (0.37) HDAC1HDAC8HDAC3HDAC4HDAC7
SCHEMBL716281 0.81 KDM4E (0.39) BCHEACHELIPE
SCHEMBL16073125 0.80 CA12 (0.41) XPO1HDAC1HDAC8HDAC3HDAC4
SCHEMBL11942673 0.80 TRPV1 (0.43) GPR119ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2672827-B9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-12-19 — — EP disclosed
EP-2672827-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
US-9107410-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2015-08-18 — — US disclosed
US-20140228215-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-08-14 — — US disclosed
US-8748340-B2 Pesticidal compositions and processes related thereto Dow AgroSciecnes LLC. (US) 2014-06-10 — — US disclosed
US-20120202688-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-08-09 — — 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 (2 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-20120202688-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS GPR119 1364/4885XPO1 4573/4885HDAC1 2862/4885
US-20140228215-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS GPR119 1364/4885XPO1 4573/4885HDAC1 2862/4885

“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.

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