SCHEMBL31664450

SCHEMBL31664450

CCC(C)Oc1ccc(C(C)OC(C)=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ACACB O00763 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ PLA2G1B P04054 1/20 0.39
▸ ATG4B Q9Y4P1 1/20 0.39
▸ FKBP1A P62942 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GPR88 Q9GZN0 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CARM1 Q86X55 1/20 0.35
▸ HTT P42858 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
SCHEMBL31664400 0.87 SMN1; SMN2 (0.41) SMN1; SMN2ACACBTDP1PLA2G1BATG4B
SCHEMBL31664414 0.82 SMN1; SMN2 (0.45) SMN1; SMN2ACACBTDP1PLA2G1BATG4B
SCHEMBL31664409 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ACACBTDP1MAPTKMT2A
SCHEMBL31664437 0.79 ACACB (0.45) ACACBMAPTMTNR1AMTNR1B
SCHEMBL31664413 0.76 SMN1; SMN2 (0.41) SMN1; SMN2ACACBTDP1PLA2G1BATG4B
SCHEMBL31664434 0.75 SMN1; SMN2 (0.40) SMN1; SMN2ACACBTDP1PLA2G1BATG4B
SCHEMBL19122983 0.74 SMN1; SMN2 (0.59) SMN1; SMN2ACACBTDP1MAPTKMT2A
SCHEMBL31664418 0.74 CASP1 (0.43) SMN1; SMN2ACACBTDP1PLA2G1BATG4B
SCHEMBL3720465 0.73 SMN1; SMN2 (0.46) SMN1; SMN2ACACBTDP1MAPTTHRB
SCHEMBL8082306 0.72 LMNA (0.52) SMN1; SMN2ACACBMAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250236810-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING BENZENE DERIVATIVES OSMO LABS, PBC 2025-07-24 — — 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-20250236810-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING BENZENE DERIVATIVES BBOX1, NISCH, TAS2R4 SMN1; SMN2 2236/4885ACACB 394/4885TDP1 2932/4885

“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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