SCHEMBL23610498

SCHEMBL23610498

CCC(C)Cc1ccc(OC(=O)NC)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.45
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.41
▸ ACACB O00763 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACHE P22303 2/20 0.40
▸ BCHE P06276 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ELANE P08246 1/20 0.39
▸ LDHA P00338 1/20 0.39
▸ PTGS2 P35354 1/20 0.39

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
SCHEMBL20214592 0.85 PTGS2 (0.51) RAB9ANPC1PTGS2
SCHEMBL10847599 0.80 ACACB (0.42) ACACBLDHA
SCHEMBL9326256 0.80 RAB9A (0.63) CYP1A2RAB9ANPC1SMN1; SMN2ACHE
SCHEMBL10743703 0.78 HSD17B10 (0.50) ACACBELANE
SCHEMBL11218143 0.78 PPARG (0.44) LDHA
SCHEMBL9356465 0.78 PPARG (0.44) LDHA
SCHEMBL10642349 0.78 ALDH1A1 (0.55) CYP1A2RAB9ANPC1ADAMTS4SMN1; SMN2
SCHEMBL12893245 0.77 ALDH1A1 (0.51) RAB9ANPC1ADAMTS4SMN1; SMN2ACHE
SCHEMBL2803010 0.77 SLC7A5 (0.57) CYP1A2SMN1; SMN2ACHEALDH1A1LDHA
SCHEMBL9325570 0.77 THRB (0.60) RAB9ANPC1ACACBSMN1; SMN2ALDH1A1

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-20230301302-A1 AGROCHEMICAL ADJUVANTS CRODA INTERNATIONAL PLC (GB) 2023-09-28 — — US disclosed
US-20210204541-A1 SPRAY DRIFT REDUCTION CRODA, INC. (US) 2021-07-08 — — 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 (1 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-20230301302-A1 AGROCHEMICAL ADJUVANTS IL5, TLR5, DDT CYP1A2 1435/4885RAB9A 3073/4885NPC1 4226/4885

“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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