SCHEMBL9946141

SCHEMBL9946141

CC(=O)Cc1cccc(C2OC(C)(C)C(C)(C)O2)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.34
PPARA Q07869 1/20 0.33
F10 P00742 1/20 0.33
NEK2 P51955 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC7A5 Q01650 1/20 0.31
CTBP2 P56545 1/20 0.31
POLB P06746 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HCRTR2 O43614 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL9946133 0.81 POLB (0.41) GRIA2POLBCYP2C19
SCHEMBL9946139 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL17065071 0.74 KMO (0.42) GRIA2
SCHEMBL6509671 0.74 ALDH1A1 (0.46) GRIA2ALDH1A1SLC7A5CTBP2POLB
SCHEMBL9946137 0.74 CYP3A4 (0.51) ALDH1A1CYP3A4
SCHEMBL9946130 0.73 KMO (0.49) ALDH1A1POLBCYP1A2
SCHEMBL28553514 0.72 CA12 (0.41) ALDH1A1CYP3A4
SCHEMBL2441766 0.71 KMO (0.54) ALDH1A1POLB
SCHEMBL13967586 0.70 LIPG (0.57) LIPG
SCHEMBL9946122 0.70 KMT2A (0.44) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 GRIA2 116/4885PPARA 3349/4885F10 3589/4885

“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.