SCHEMBL9716404

SCHEMBL9716404

COc1c(C)c(C(=O)O)cc(O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 2/20 0.47
PTGS2 P35354 1/20 0.46
TPMT P51580 5/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40

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
SCHEMBL18677528 0.89 TDP1 (0.55) TDP1MAPTPTGS2TPMTHSD17B10
SCHEMBL670626 0.87 TPMT (0.49) TDP1MAPTPTGS2TPMTHSD17B10
SCHEMBL159393 0.84 MAPT (0.54) TDP1MAPTPTGS2TPMTHSD17B10
SCHEMBL25378470 0.81 TPMT (0.47) TDP1MAPTPTGS2TPMTHSD17B10
SCHEMBL419090 0.81 TDP1 (0.50) TDP1MAPTPTGS2TPMTHSD17B10
Gallic Acid Methyl Ester SCHEMBL5334274 0.79 LMNA (0.57) TDP1MAPTPTGS2TPMTHSD17B10
Gallic Acid Methyl Ester SCHEMBL4604139 0.79 LMNA (0.57) TDP1MAPTPTGS2TPMTHSD17B10
SCHEMBL27731624 0.79 HSD17B10 (0.52) TDP1MAPTTPMTHSD17B10MEN1
SCHEMBL2456581 0.78 CSNK2A1 (0.47) TDP1MAPTPTGS2HSD17B10MEN1
SCHEMBL39512 0.78 CSNK2A1 (0.47) TDP1MAPTPTGS2HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107261148-A Methylphenidate prodrug, its preparation and application 凯姆制药公司 2017-10-20 CN claimed
CN-106999486-A Benzoic acid conjugate, benzoic acid derivative conjugate and the heteroaryl carboxylic acid conjugate of Oxycodone 凯姆制药公司 2017-08-01 CN claimed
CN-106999487-A Benzoic acid conjugate, benzoic acid derivative conjugate and the heteroaryl carboxylic acid conjugate of Oxymorphone, its prodrug, preparation and application 凯姆制药公司 2017-08-01 CN claimed
CN-111333662-A 3,4' -O-dimethyl gallic acid, its derivative and pharmaceutical use thereof 西南医科大学 2020-06-26 CN disclosed
CN-107261148-A Methylphenidate prodrug, its preparation and application 凯姆制药公司 2017-10-20 CN disclosed
CN-106999487-A Benzoic acid conjugate, benzoic acid derivative conjugate and the heteroaryl carboxylic acid conjugate of Oxymorphone, its prodrug, preparation and application 凯姆制药公司 2017-08-01 CN disclosed
CN-106999486-A Benzoic acid conjugate, benzoic acid derivative conjugate and the heteroaryl carboxylic acid conjugate of Oxycodone 凯姆制药公司 2017-08-01 CN disclosed
CN-103826633-B Methylphenidate prodrugs, methods of making and using the same 凯姆制药公司 2017-05-24 CN disclosed
US-20120322717-A9 Compounds and assays for controlling Wnt activity ENZO BIOCHEM, INC. 2012-12-20 US disclosed
US-20100298200-A1 Compounds and assays for controlling Wnt activity LIU DAKAI 2010-11-25 US disclosed
US-5155111-A Combined with 6-mercaptopurine INSTITUTE OF MATERIA MEDICA (CN) 1992-10-13 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-20120322717-A9 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 TDP1 4794/4885MAPT 3092/4885PTGS2 4205/4885
US-20100298200-A1 Compounds and assays for controlling Wnt activity WNT1, WNT3A, WNT3 TDP1 4794/4885MAPT 3092/4885PTGS2 4205/4885

“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.