SCHEMBL4249787

SCHEMBL4249787

O=C(O)c1cccc(-c2cccc(O)c2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.76
CA1 P00915 1/20 0.76
CA2 P00918 1/20 0.76
CA6 P23280 1/20 0.76
CA9 Q16790 1/20 0.76
KMO O15229 2/20 0.70
RXRA P19793 2/20 0.61
RXRB P28702 2/20 0.61
HSD17B1 P14061 4/20 0.58
HSD17B2 P37059 4/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
ERN1 O75460 1/20 0.57
CHEK1 O14757 1/20 0.57
EGFR P00533 1/20 0.53
KEAP1 Q14145 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
HPGDS O60760 1/20 0.51
P4HB P07237 1/20 0.51

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
SCHEMBL29876694 1.00 CA12 (0.76) CA12CA1CA2CA6CA9
Benzoic Acid SCHEMBL23212129 0.92 CA12 (0.69) CA12CA1CA2CA6CA9
SCHEMBL18788839 0.90 KMO (0.68) CA12CA1CA2CA6CA9
SCHEMBL30725957 0.89 KMO (0.86) CA12CA1CA2CA6CA9
SCHEMBL29904709 0.89 KMO (0.86) CA12CA1CA2CA6CA9
SCHEMBL71238 0.89 KMO (0.86) CA12CA1CA2CA6CA9
3-Hydroxybenzoic Acid SCHEMBL8679140 0.87 CA12 (1.00) CA12CA1CA2CA6CA9
3-Hydroxybenzoic Acid SCHEMBL9153881 0.87 CA12 (1.00) CA12CA1CA2CA6CA9
Fluoride SCHEMBL21332075 0.87 KMO (0.83) CA12CA1CA2CA6CA9
Hydrochloric Acid SCHEMBL21173951 0.87 KMO (0.83) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178687-A Wholly aromatic liquid crystal polyester and preparation method and application thereof 金发科技股份有限公司 2023-05-30 CN disclosed
WO-2023017839-A1 POLYESTER FILM AND METAL-CLAD LAMINATED BOARD ENEOS株式会社 2023-02-16 WO disclosed
CN-114891322-A Wholly aromatic liquid crystal polyester composite material and preparation method and application thereof 珠海万通特种工程塑料有限公司 2022-08-12 CN disclosed
CN-107835680-B Novel selective 11-beta-hydroxysteroid dehydrogenase type 1 帝斯曼知识产权资产管理有限公司 2021-11-09 CN disclosed
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF THE UNIV OF MONTANA (US) 2021-05-13 US disclosed
US-10550097-B2 Selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors DSM IP ASSETS B.V. (NL) 2020-02-04 US disclosed
EP-3324924-B1 NOVEL SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS DSM IP ASSETS BV (NL) 2019-08-21 EP disclosed
US-20180208576-A1 NOVEL SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 DSM IP ASSETS B.V. (NL) 2018-07-26 US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US disclosed
EP-1235777-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-06-16 EP disclosed
EP-1235777-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038303-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed
EP-0710684-B1 Preparation process of polyhydroxycarboxylic acid MITSUI CHEMICALS INC (JP) 2001-01-31 EP disclosed
EP-0736018-B1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2000-07-05 EP disclosed
US-6025375-A INHIBITORY ACTIVITY ON PLATELET AGGREGATION, VASODILATING ACTIVITY, ANTIHYPERTENSIVE ACTIVITY OR THE LIKE AND ARE PROSTAGLANDIN I.SUB.2 AGONISTS, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-15 US disclosed
US-5770683-A Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
EP-0736018-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-09 EP disclosed
EP-0710684-A2 Preparation process of polyhydroxycarboxylic acid MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-08 EP disclosed
WO-1995017393-A1 4,5-DIARYLOXAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-06-29 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-10550097-B2 Selective 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors HSD11B1, HSD17B1, HSD3B1 CA12 3860/4885CA1 2552/4885CA2 3821/4885
US-20180208576-A1 NOVEL SELECTIVE 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 CA12 3604/4885CA1 2281/4885CA2 3757/4885
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds CTSE, CTSB, CTSS CA12 2393/4885CA1 1457/4885CA2 1290/4885
US-20210139521-A1 DIARYL TREHALOSE COMPOUNDS AND USES THEREOF TREH, STT3B, DDOST CA12 757/4885CA1 1399/4885CA2 1958/4885

“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.