SCHEMBL5812804

SCHEMBL5812804

COC(=O)C(CO)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
CHRM2 P08172 4/20 0.52
CHRM1 P11229 4/20 0.52
CHRM5 P08912 3/20 0.52
CHRM3 P20309 3/20 0.52
CHRM4 P08173 3/20 0.52
HTR2C P28335 2/20 0.52
BLM P54132 2/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
ADRA2C P18825 1/20 0.52
ADRA1A P35348 1/20 0.52
HRH1 P35367 1/20 0.52
SLC22A1 O15245 1/20 0.52
ADRA1D P25100 1/20 0.52
PABPC1 P11940 1/20 0.50
TSHR P16473 2/20 0.49

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
SCHEMBL30870371 1.00 KMT2A (0.60) KMT2ACHRM2CHRM1CHRM5CHRM3
SCHEMBL11040087 0.93 MAPT (0.53) KMT2ACHRM2CHRM1CHRM5CHRM3
Benzoic Acid SCHEMBL28108053 0.92 KMT2A (0.51) KMT2ACHRM2CHRM1CHRM5CHRM3
Phenylacetic Acid SCHEMBL28835698 0.89 AKR1B1 (0.52) KMT2ACHRM2CHRM1CHRM5CHRM3
SCHEMBL18381730 0.85 KMT2A (0.60) KMT2ALMNAKDM4EMEN1POLB
SCHEMBL18381729 0.85 KMT2A (0.60) KMT2ALMNAKDM4EMEN1POLB
SCHEMBL29425354 0.85 KMT2A (0.60) KMT2ALMNAKDM4EMEN1POLB
SCHEMBL174166 0.85 KMT2A (0.60) KMT2ALMNAKDM4EMEN1POLB
SCHEMBL28601780 0.83 KMT2A (0.50) KMT2ACHRM2CHRM1CHRM5CHRM3
SCHEMBL10773175 0.83 KMT2A (0.58) KMT2ALMNAMEN1TSHRCYP2C19

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 99 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985241-A Inhibition effect of [alpha]-substituted phenyl acetate compounds on [alpha]-glycosidase and application of the compounds 邵阳学院 2016-10-05 CN claimed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 US claimed
CN-1167407-C Skin deodorizing and sanitizing compositions 宝洁公司 2004-09-22 CN claimed
CN-113354635-B Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2023-04-18 CN disclosed
CN-110551027-B Synthetic method of 3-hydroxy-2-phenylpropionic acid 南京理工大学 2022-03-22 CN disclosed
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE ALCON INC. (CH) 2021-11-25 US disclosed
CN-113354635-A Pyrrolidine integrin regulator and application thereof 清药同创(北京)药物研发中心有限公司 2021-09-07 CN disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2021-06-08 US disclosed
EP-3828172-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE Aerie Pharmaceuticals, Inc. (US) 2021-06-02 EP disclosed
US-10654844-B2 Dual mechanism inhibitors for the treatment of disease AERIE PHARMACEUTICALS, INC. (US) 2020-05-19 US disclosed
US-5686489-A TOPICALLY APPLIED TO INDUCE GLYCOSAMINOGLYCAN, PROTEOGLYCAN, COLLAGEN AND ELASTIN BIOSYNTHESIS; WRINKLE RESISTANCE TRISTRATA TECHNOLOGY, INC. (US) 1997-11-11 US disclosed
WO-1996040047-A1 ALPHA HYDROXYACID ESTERS FOR SKIN AGING YU RUEY J (US) 1996-12-19 WO disclosed
US-5492930-A ADMINISTERING 2-PHENYL-1,3-PROPANEDIOL MONOCARBAMATE SCHERING CORPORATION (US) 1996-02-20 US disclosed
WO-1994006737-A1 PROCESS FOR PREPARING FELBAMATE, 2-PHENYL-1,3-PROPANEDIOL AND INTERMEDIATES SCHERING CORPORATION (US) 1994-03-31 WO disclosed
EP-0588652-A1 Process for the preparation of 2-aryl-1,3-propanediols GANES CHEMICALS INC. (US) 1994-03-23 EP disclosed
CN-1078745-A The liquid hard surface detergent compositions that contains tensio-active agent and alkanolamine PROCTER & GAMBLE (US) 1993-11-24 CN disclosed
US-5250744-A Process for the preparation of 2-aryl-1,3-propanediols GANES CHEMICALS INC. (US) 1993-10-05 US disclosed
US-5239121-A Process for the preparation of 2-aryl-1,3-propanediols GANES CHEMICALS INC. (US) 1993-08-24 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 (3 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-10654844-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 KMT2A 3013/4885CHRM2 470/4885CHRM1 863/4885
US-11028081-B2 Dual mechanism inhibitors for the treatment of disease RHOA, SLC6A2, ROCK2 KMT2A 3013/4885CHRM2 470/4885CHRM1 863/4885
US-20210363141-A1 DUAL MECHANISM INHIBITORS FOR THE TREATMENT OF DISEASE RHOA, SLC6A2, ROCK2 KMT2A 3013/4885CHRM2 470/4885CHRM1 863/4885

“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.