SCHEMBL3969737

SCHEMBL3969737

COc1ccccc1Oc1ccc(C=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.70
HTT P42858 3/20 0.70
MAPK1 P28482 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
TTR P02766 1/20 0.68
LMNA P02545 5/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CYP2A6 P11509 1/20 0.59
TSHR P16473 2/20 0.53
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL8311249 0.90 TTR (0.58) ALDH1A1HTTMAPK1L3MBTL1TTR
SCHEMBL25960695 0.86 TTR (0.64) ALDH1A1HTTMAPK1L3MBTL1TTR
SCHEMBL3627857 0.84 HTT (1.00) ALDH1A1HTTMAPK1L3MBTL1TTR
SCHEMBL17955067 0.84 TTR (0.81) ALDH1A1HTTTTRLMNACYP2A6
SCHEMBL17508212 0.84 ALDH1A1 (0.57) ALDH1A1HTTMAPK1L3MBTL1TTR
SCHEMBL19149618 0.83 TTR (0.53) ALDH1A1HTTMAPK1L3MBTL1TTR
SCHEMBL17508149 0.82 TTR (0.69) ALDH1A1TTRLMNACYP1A2CYP2C9
SCHEMBL19296412 0.81 ALDH1A1 (0.70) ALDH1A1HTTMAPK1L3MBTL1TTR
SCHEMBL3970300 0.81 ALDH1A1 (0.50) ALDH1A1HTTMAPK1L3MBTL1TTR
SCHEMBL2075852 0.81 TTR (0.67) ALDH1A1HTTMAPK1L3MBTL1TTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3615515-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2024-09-25 EP disclosed
CN-110914241-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-11-14 CN disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
CN-110914241-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
EP-3615515-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-07-25 US disclosed
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-07-25 US disclosed
US-10246451-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
US-10246451-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2019-04-02 US disclosed
WO-2018209363-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC (US) 2018-11-15 WO disclosed
US-20180312498-A1 Propionic Acid Derivatives and Methods of Use Thereof AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 US disclosed
US-10020456-B2 Ether-based polymers as photo-crosslinkable dielectrics BASF SE (DE) 2018-07-10 US disclosed
US-20170250358-A1 ETHER-BASED POLYMERS AS PHOTO-CROSSLINKABLE DIELECTRICS BASF SE (DE) 2017-08-31 US disclosed
US-20170250358-A1 ETHER-BASED POLYMERS AS PHOTO-CROSSLINKABLE DIELECTRICS BASF SE (DE) 2017-08-31 US disclosed
US-7595317-B2 Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-29 US disclosed
US-7294624-B2 Osteoporosis; antiarthritic agents BRISTOL MYERS SQUIBB COMPANY (US) 2007-11-13 US disclosed
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES DUAN JINGWU 2007-07-19 US disclosed
US-6984648-B2 Cyclic β-amino acid derivatives as inhibitors of matrix metalloproteases and TNF-α BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-01-10 US disclosed
US-6743807-B2 TREATMENT OF RHEUMATOID AND OSTEOARTHRITIS, CORNEAL, EPIDERMAL OR GASTRIC ULCERATION, TUMOR METASTASIS OR INVASION, PERIODONTAL DISEASE AND BONE DISEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-06-01 US disclosed
WO-2003053941-A2 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO 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 (4 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-10246451-B2 Propionic acid derivatives and methods of use thereof ITGA4, ITGB3, ITGB5 ALDH1A1 232/4885HTT 4287/4885MAPK1 2722/4885
US-20070167451-A1 BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES TNF, MMP9, MMP3 ALDH1A1 839/4885HTT 4656/4885MAPK1 1769/4885
US-20190225602-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB4 ALDH1A1 141/4885HTT 4326/4885MAPK1 3015/4885
US-20180312498-A1 Propionic Acid Derivatives and Methods of Use Thereof ITGA4, ITGB3, ITGB5 ALDH1A1 232/4885HTT 4287/4885MAPK1 2722/4885

“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.