SCHEMBL7739306

SCHEMBL7739306

CC(C)(C)OCC1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.41
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
ACHE P22303 1/20 0.31
CHRM5 P08912 2/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 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
SCHEMBL7738572 1.00 ALDH1A1 (0.44) ALDH1A1CYP1A2CTSLCTSBCTSK
SCHEMBL7741214 1.00 ALDH1A1 (0.44) ALDH1A1CYP1A2CTSLCTSBCTSK
SCHEMBL7739610 1.00 ALDH1A1 (0.44) ALDH1A1CYP1A2CTSLCTSBCTSK
SCHEMBL7738673 1.00 ALDH1A1 (0.44) ALDH1A1CYP1A2CTSLCTSBCTSK
SCHEMBL7741403 0.97 ALDH1A1 (0.46) ALDH1A1CYP1A2CTSLCTSBCTSK
SCHEMBL11930045 0.92 ALDH1A1 (0.46) ALDH1A1CYP1A2SLC1A3SLC1A2SLC1A1
SCHEMBL16109561 0.87 ALDH1A1 (0.50) ALDH1A1
SCHEMBL685573 0.87
SCHEMBL19734476 0.79 CYP1A2 (0.41) ALDH1A1CYP1A2CTSLCTSBCTSK
SCHEMBL12085963 0.79 ALDH1A1 (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2024-01-02 US disclosed
US-6410748-B1 Alicycli c group-containing monomer KABUSHIKI KAISHA TOSHIBA (JP) 2002-06-25 US disclosed
US-6291129-B1 LIGHT SENSITIVE ELEMENT WITH UNSATURATED POLYMERS KABUSHIKI KAISHA TOSHIBA (JP) 2001-09-18 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-11858940-B2 Selective modulators of mutant LRRK2 proteolysis and associated methods of use LRRK2, ADRM1, CRBN ALDH1A1 4021/4885CYP1A2 4779/4885CTSL 2444/4885

“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.