SCHEMBL29955745

SCHEMBL29955745

Cc1cc(F)cc(C=O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.42
ERN1 O75460 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
ACHE P22303 1/20 0.36
NFE2L2 Q16236 2/20 0.35
SRC P12931 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL698784 1.00 CYP2A6 (0.42) CYP2A6ERN1PTGS1PTGS2ACHE
SCHEMBL96269 0.82 ERN1 (0.41) CYP2A6ERN1PTGS1PTGS2NFE2L2
SCHEMBL3129625 0.82 CYP2A6 (0.52) CYP2A6ERN1PTGS2SRCKDM4E
SCHEMBL280640 0.82 CYP2A6 (0.52) CYP2A6ERN1SRCALDH1A1
SCHEMBL6854243 0.82 ERN1 (0.41) CYP2A6ERN1PTGS1PTGS2NFE2L2
Hydrochloric Acid SCHEMBL28065211 0.79 CYP2A6 (0.50) CYP2A6ERN1SRCALDH1A1
Ammonia Solution, Strong SCHEMBL13735346 0.79 ERN1 (0.39) CYP2A6ERN1PTGS1PTGS2NFE2L2
SCHEMBL18255047 0.79 GABBR2 (0.42) PTGS1PTGS2ACHENFE2L2KDM4E
SCHEMBL16954930 0.76 PTGS1 (0.42) PTGS1PTGS2ACHENFE2L2RAPGEF4
SCHEMBL16959668 0.76 TP53 (0.46) PTGS1PTGS2ACHENFE2L2RAPGEF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250320184-A1 SARM1 MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2025-10-16 US disclosed
WO-2025122979-A1 COMPOUNDS FOR SEROTONIN RECEPTOR ACTIVATION AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME ATAI THERAPEUTICS, INC. (US) 2025-06-12 WO disclosed
EP-4536640-A1 SARM1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2025-04-16 EP disclosed
WO-2023236920-A1 SARM1 MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-12-14 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 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-20250320184-A1 SARM1 MODULATORS, PREPARATIONS, AND USES THEREOF SARM1, SMN1; SMN2, ADRM1 CYP2A6 4825/4885ERN1 965/4885PTGS1 3777/4885

“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.