SCHEMBL12636660

SCHEMBL12636660

CC1=C(OCc2ccccc2)C(=O)OC1C1COC(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL10703049 0.88 TMEM97 (0.37) GRM2TMEM97SIGMAR1POLBLMNA
SCHEMBL8539003 0.88 TMEM97 (0.37) GRM2TMEM97SIGMAR1POLBLMNA
SCHEMBL13013398 0.88 TMEM97 (0.37) GRM2TMEM97SIGMAR1POLBLMNA
SCHEMBL22360663 0.87 TMEM97 (0.38) GRM2TMEM97SIGMAR1TP53OPRM1
SCHEMBL17068337 0.84 TMEM97 (0.36) GRM2TMEM97SIGMAR1POLBLMNA
SCHEMBL17068318 0.84 TMEM97 (0.36) GRM2TMEM97SIGMAR1POLBLMNA
SCHEMBL16950203 0.81 HDAC3 (0.33) GRM2TMEM97SIGMAR1TP53OPRM1
SCHEMBL16950206 0.81 HDAC3 (0.33) GRM2TMEM97SIGMAR1TP53OPRM1
SCHEMBL6851717 0.81 TMEM97 (0.38) GRM2TMEM97SIGMAR1TP53OPRM1
SCHEMBL886854 0.81 TMEM97 (0.38) GRM2TMEM97SIGMAR1TP53OPRM1

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-20110105417-A1 Drug Conjugates THE CURATORS OF THE UNIVERSITY OF MISSOURI 2011-05-05 US disclosed
US-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES MERCK PATENT GMBH 2010-12-23 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-20110105417-A1 Drug Conjugates ABCB1, SLCO2B1, ABCG2 GRM2 1479/4885TMEM97 217/4885SIGMAR1 544/4885
US-20100322880-A1 UVA FILTERS BASED ON ASCORBIC ACID DERIVATIVES C1R, VDR, C1S GRM2 4485/4885TMEM97 4829/4885SIGMAR1 4792/4885

“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.