SCHEMBL21983085

SCHEMBL21983085

CCc1ccc(C(CC)C(C)C)cc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.51
ALOX15 P16050 4/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 6/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 4/20 0.42
SLC6A3 Q01959 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
ESR1 P03372 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42

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
SCHEMBL31545927 0.91 SHBG (0.61) SHBGALOX15ALOX12TDP1MAPT
SCHEMBL26015539 0.83 SHBG (0.66) SHBGALOX15ALOX12TDP1MAPT
SCHEMBL16736815 0.81 GAA (0.58) SHBGALOX15ALOX12MAPTLMNA
SCHEMBL16216247 0.81 KDM4E (0.47) ALOX15ALOX12TDP1MAPTLMNA
SCHEMBL4109681 0.81 TRPA1 (0.55) SHBGALOX15ALOX12TDP1MAPT
SCHEMBL922053 0.81 ALOX15 (0.44) SHBGALOX15ALOX12TDP1MAPT
SCHEMBL18401481 0.77 KDM4E (0.66) ALOX15ALOX12TDP1MAPTLMNA
SCHEMBL21983353 0.76 SHBG (0.49) SHBGALOX15TDP1MAPTLMNA
SCHEMBL18435028 0.75 SHBG (0.47) SHBGALOX15ALOX12TDP1MAPT
SCHEMBL921780 0.75 ESR1 (0.44) SHBGALOX15ALOX12TDP1LMNA

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-10647744-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2020-05-12 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-10647744-B2 Tripeptide epoxy ketone protease inhibitors PREP, CTRL, ENPEP SHBG 2122/4885ALOX15 446/4885ALOX12 788/4885

“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.