SCHEMBL13845754

SCHEMBL13845754

CCC1CCC(C)=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
NLRP3 Q96P20 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
CYP19A1 P11511 6/20 0.37
CRBN Q96SW2 2/20 0.32
NOS3 P29474 2/20 0.31
NOS2 P35228 2/20 0.31

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
SCHEMBL15418585 0.85 NOS3 (0.38) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL8344022 0.83 NPC1 (0.53) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL15355648 0.80 NPC1 (0.43) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL30876311 0.80
SCHEMBL2763746 0.76 TP53 (0.38)
SCHEMBL15355707 0.75 NPC1 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL10974043 0.75 NPC1 (0.46) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL4607558 0.73
SCHEMBL15415270 0.72 CYP19A1 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL8298542 0.72

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-20210395639-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL SYMRISE AG (DE) 2021-12-23 US disclosed
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone SAN-EI GEN F.F.I. INC. (JP) 2009-05-07 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-20210395639-A1 SYNTHESIS AND USE OF 2-ETHYL-5,5-DIMETHYL-CYCLOHEXANOL AS FRAGRANCE AND FLAVOR MATERIAL TRPM5, CNR2, DRD5 NPC1 3606/4885CASP3 2974/4885RAB9A 3687/4885
US-20090118157-A1 Processes For Production Of Wine Lactone And Its Intermediates And Application Of The Lactone DCXR, COASY, AKR7A2 NPC1 4485/4885CASP3 1711/4885RAB9A 3684/4885

“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.