SCHEMBL546936

SCHEMBL546936

O=C(O)c1cc(=O)cco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
APEX1 P27695 1/20 0.38
RECQL P46063 1/20 0.38
DAO P14920 2/20 0.37
KDM4E B2RXH2 2/20 0.36
CSNK2A1 P68400 3/20 0.36
CSNK2A2 P19784 2/20 0.36
CSNK2B P67870 2/20 0.36
CSNK2A3 Q8NEV1 2/20 0.36
USP2 O75604 1/20 0.36
PTGS1 P23219 1/20 0.36
AKR1B1 P15121 1/20 0.34

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
SCHEMBL8830659 0.80 CES2 (0.37) PTPN1CES2CES1KMT2ATDP1
SCHEMBL13629841 0.80 ALDH1A1 (0.38) PTPN1CES2CES1KMT2ATDP1
SCHEMBL3661961 0.80 CES2 (0.37) PTPN1CES2CES1KMT2ATDP1
SCHEMBL5131964 0.77 PTPN1 (0.44) PTPN1CES2CES1KMT2ATDP1
SCHEMBL17160997 0.75 MAPT (0.44) CES2CES1KMT2AMEN1ALDH1A1
SCHEMBL7993409 0.75 CES2 (0.44) CES2CES1KMT2AMEN1ALDH1A1
SCHEMBL22806903 0.71 AKR1B1 (0.46) KMT2AMEN1ALDH1A1POLBKDM4E
SCHEMBL70569 0.70 KDM4E (0.52) KMT2ATDP1ALDH1A1POLBAPEX1
SCHEMBL1187892 0.69
SCHEMBL11646687 0.69 KDM4E (0.50) KMT2ATDP1ALDH1A1POLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1838676-A1 NEPETALACTAMS AND N-SUBSTITUTED DERIVATIVES THEREOF E.I. DUPONT DE NEMOURS AND COMPANY (US) 2007-10-03 EP claimed
WO-2006072039-A1 NEPETALACTAMS AND N-SUBSTITUTED DERIVATIVES THEREOF E. I. DU PONT DE NEMOURS AND COMPANY (US) 2006-07-06 WO claimed
EP-3986551-B1 TRIAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2025-10-29 EP disclosed
US-12435057-B2 Triazole carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-10-07 US disclosed
US-12384768-B2 Isoxazole carboxylic acids as LPA antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2025-08-12 US disclosed
US-20250161269-A1 COMPOSITIONS AND METHODS FOR PERIPHERAL TARGETING OF MELATONIN RECEPTOR AGONIST CELMATIX INC. 2025-05-22 US disclosed
US-20240374583-A1 USE OF MORPHINAN DERIVATIVES FOR TREATMENT OF OPIOID DELTA RECEPTOR AGONIST-RELATED DISEASE NIPPON CHEMIPHAR CO., LTD (JP) 2024-11-14 US disclosed
US-12109209-B2 Use of morphinan derivatives for treatment of opioid delta receptor agonist-related disease NIPPON CHEMIPHAR CO., LTD. (JP) 2024-10-08 US disclosed
US-20240318213-A1 MODIFIED PROTEIN HAVING ALPHA1,2-FUCOSYLTRANSFERASE ACTIVITY AND METHOD FOR PRODUCING FUCOSE-CONTAINING CARBOHYDRATE KYOWA HAKKO BIO CO., LTD. (JP) 2024-09-26 US disclosed
EP-3986552-B1 ISOXAZOLE CARBOXYLIC ACIDS AS LPA ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2024-09-18 EP disclosed
EP-4414037-A2 MORPHINAN DERIVATIVES FOR THE TREATMENT OF OPIOID DELTA RECEPTOR AGONIST-RELATED DISEASES Nippon Chemiphar Co., Ltd. (JP) 2024-08-14 EP disclosed
EP-0700908-A1 1-Arylpyrimidine derivatives and pharmaceutical use thereof JAPAN ENERGY CORPORATION (JP) 1996-03-13 EP disclosed
US-4198426-A 2-Substituted-3-methyl-γ-pyrone tricyclic derivatives AYERST MCKENNA & HARRISON LTD. (CA) 1980-04-15 US disclosed
US-4189490-A 2-Substituted-3-methyl-γ-pyrone tricyclic derivatives AYERST MCKENNA & HARRISON LIMITED (CA) 1980-02-19 US disclosed
US-4177284-A 2-Substituted-3-methyl-γ-pyrone tricvclic derivatives and process therefor AYERST MCKENNA & HARRISON LTD. (CA) 1979-12-04 US disclosed
US-4105778-A ANTIALLERGENS, BACTERICIDES, FUNGICIDES AYERST, MCKENNA & HARRISON, LTD. (CA) 1978-08-08 US disclosed
US-4105778-A ANTIALLERGENS, BACTERICIDES, FUNGICIDES AYERST, MCKENNA & HARRISON, LTD. (CA) 1978-08-08 US disclosed
US-4086349-A Quinolopyran-4-one-2-carboxylic acid derivatives and salts thereof as novel compounds and as medicines for treatment of allergic asthma MITSUBISHI YUKA PHARMACEUTICAL CO., LTD. (JA) 1978-04-25 US disclosed
US-4060619-A ANTIALLERGY, MICROBIOCIDE AYERST MCKENNA AND HARRISON LTD. (CA) 1977-11-29 US disclosed
US-3953428-A ANTIBACTERIAL YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 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 (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-12435057-B2 Triazole carboxylic acids as LPA antagonists LPAR3, LPAR1, LPAR5 PTPN1 1643/4885CES2 1663/4885CES1 179/4885
US-20240374583-A1 USE OF MORPHINAN DERIVATIVES FOR TREATMENT OF OPIOID DELTA RECEPTOR AGONIST-RELATED DISEASE OPRD1, OPRM1, OPRK1 PTPN1 3775/4885CES2 2121/4885CES1 3582/4885
US-12384768-B2 Isoxazole carboxylic acids as LPA antagonists LPAR3, LPAR1, LPAR5 PTPN1 1596/4885CES2 2693/4885CES1 406/4885
US-12109209-B2 Use of morphinan derivatives for treatment of opioid delta receptor agonist-related disease OPRD1, OPRM1, OPRK1 PTPN1 3775/4885CES2 2121/4885CES1 3582/4885

“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.