SCHEMBL22952541

SCHEMBL22952541

CC(C)(C)C(=O)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KAT6A Q92794 4/20 0.52
▸ TAS1R3 Q7RTX0 1/20 0.50
▸ TAS1R1 Q7RTX1 1/20 0.50
▸ TAS1R2 Q8TE23 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.48
▸ GPR139 Q6DWJ6 1/20 0.46
▸ ACHE P22303 1/20 0.46
▸ DDR1 Q08345 2/20 0.46
▸ HSD11B1 P28845 1/20 0.45
▸ MRGPRX4 Q96LA9 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MGLL Q99685 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44

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
SCHEMBL21658556 0.86 CES2 (0.46) KAT6ATAS1R3TAS1R1TAS1R2ACHE
SCHEMBL22955254 0.84 DDR1 (0.47) KAT6ATAS1R3TAS1R1TAS1R2HDAC8
SCHEMBL29742938 0.83 MAOB (0.55) KAT6ATAS1R3TAS1R1TAS1R2HDAC8
SCHEMBL697586 0.83 MAOB (0.55) KAT6ATAS1R3TAS1R1TAS1R2HDAC8
SCHEMBL25736219 0.82 AKR1C3 (0.56) HDAC8ACHENPC1RAB9APOLB
SCHEMBL690501 0.82 KAT6A (0.54) KAT6ATAS1R3TAS1R1TAS1R2HDAC8
SCHEMBL7055657 0.81 MRGPRX4 (0.63) KAT6ATAS1R3TAS1R1TAS1R2HDAC8
SCHEMBL29459930 0.81 MRGPRX4 (0.61) KAT6ATAS1R3TAS1R1TAS1R2GPR139
SCHEMBL7844611 0.81 CES2 (0.67) NPC1RAB9ALMNA
SCHEMBL10561497 0.81 KAT6A (0.52) KAT6ATAS1R3TAS1R1TAS1R2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — US disclosed
US-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUND CO., LTD. (CN) 2021-02-04 — — 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-20210032229-A1 PYRIDINE RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, H1-0 KAT6A 4644/4885TAS1R3 2409/4885TAS1R1 2755/4885
US-20210032222-A1 FIVE-MEMBERED RING-SUBSTITUTED PYRIDAZINOL COMPOUNDS AND DERIVATIVES, PREPARATION METHODS, HERBICIDAL COMPOSITIONS AND APPLICATIONS THEREOF CBR3, CBR1, CYP8B1 KAT6A 4459/4885TAS1R3 3105/4885TAS1R1 3121/4885

“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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