SCHEMBL5886685

SCHEMBL5886685

CC1(O)c2ccccc2O[C@](C)(C(=O)O)C1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
AKR1B1 P15121 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 2/20 0.35
MAPK1 P28482 1/20 0.35
CYP3A4 P08684 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.34
HCAR2 Q8TDS4 3/20 0.33
AKR1C1 Q04828 1/20 0.33
HCAR3 P49019 1/20 0.31
DRD1 P21728 1/20 0.31
CYP1A2 P05177 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 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
SCHEMBL8051377 0.85 CYP2C19 (0.36) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL8607562 0.81 CYP2C19 (0.37) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL1536060 0.77 HTT (0.38) AKR1B1CYP2C19CYP2C9MAPK1CYP3A4
SCHEMBL7172154 0.71 THRB (0.45) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL5142085 0.70 CYP2C19 (0.33) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL10895943 0.67 THRB (0.41) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL22368461 0.67 AKR1B1 (0.35) THRBTDP1AKR1B1CYP2C19CYP2C9
SCHEMBL1536061 0.66 CYP2C19 (0.33) AKR1B1CYP2C19CYP2C9MAPK1CYP3A4
SCHEMBL523847 0.66 ALOX5 (0.41) THRBTDP1AKR1B1CYP2C9
SCHEMBL30528258 0.66 CYP2C19 (0.33) AKR1B1CYP2C19CYP2C9MAPK1CYP3A4

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-7150876-B2 Methods for stabilizing ingredients within cosmetics, personal care and household products MERCK PATENT GMBH (DE) 2006-12-19 US disclosed
US-20050244349-A1 Methods for stabilizing ingredients within cosmetics, personal care and household products SUSONITY Commercial GmbH (DE) 2005-11-03 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-20050244349-A1 Methods for stabilizing ingredients within cosmetics, personal care and household products CUTA, TYR, LAGE3 THRB 4720/4885TDP1 2596/4885AKR1B1 2467/4885

“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.