SCHEMBL17201140

SCHEMBL17201140

CCc1ccc(C(=O)OC)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.65
CA1 P00915 3/20 0.65
CA2 P00918 3/20 0.65
CA7 P43166 3/20 0.65
CA9 Q16790 3/20 0.65
CA14 Q9ULX7 3/20 0.65
PDK2 Q15119 1/20 0.65
PDK4 Q16654 1/20 0.65
GAA P10253 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.56
TRPA1 O75762 1/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 1/20 0.53
MYC P01106 1/20 0.53
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 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
SCHEMBL28991962 0.93 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL8303432 0.88 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL1100762 0.87 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL12857040 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1165530 0.86 GAA (0.62) CA12CA1CA2CA7CA9
SCHEMBL5058622 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL646876 0.85 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL28952926 0.85 TRPA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL13332007 0.85 ALDH1A1 (0.56) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL6292854 0.84 CA12 (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122037370-A Conductive polypropylene composition, and preparation method and application thereof 中国石油化工股份有限公司 2026-05-15 CN disclosed
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2026-04-02 US disclosed
US-20250320318-A1 OLEFIN POLYMERIZATION CATALYST COMPONENT, CATALYST SYSTEM, PREPOLYMERIZATION CATALYST COMPOSITION AND OLEFIN POLYMERIZATION METHOD CHINA PETROLEUM & CHEM CORP (CN) 2025-10-16 US disclosed
CN-116041577-B Olefin polymerization catalyst component, catalyst system, application and olefin polymerization method 中国石油化工股份有限公司 2024-12-06 CN disclosed
EP-4424720-A1 OLEFIN POLYMERIZATION CATALYST COMPONENT, CATALYST SYSTEM, PREPOLYMERIZATION CATALYST COMPOSITION AND OLEFIN POLYMERIZATION METHOD CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-09-04 EP disclosed
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-04-04 US disclosed
CN-116041577-A Olefin polymerization catalyst component, catalyst system, application and olefin polymerization method 中国石油化工股份有限公司 2023-05-02 CN disclosed
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-12-29 US disclosed
US-10899752-B2 2,3-dihydro-4H-1,3-benzoxazin-4-one derivatives as modulators of cholinergic muscarinic M1 receptor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-01-26 US disclosed
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2021-01-14 US disclosed
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2017-02-02 US disclosed
WO-2016208775-A1 2,3-DIHYDRO-4H-1,3-BENZOXAZIN-4-ONE DERIVATIVES AS MODULATORS OF CHOLINERGIC MUSCARINIC M1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-29 WO disclosed
US-20160376244-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-29 US disclosed
US-9518042-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-12-13 US disclosed
US-9499516-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-22 US disclosed
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 US disclosed
US-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL (JP) 2016-06-02 US disclosed
US-9315458-B2 Nitrogen-containing heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2016-04-19 US disclosed
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 US disclosed
WO-2015163485-A1 ISOINDOLINE-1-ONE DERIVATIVES AS CHOLINERGIC MUSCARINIC M1 RECEPTOR POSITIVE ALLOESTERIC MODULATOR ACTIVITY FOR THE TREATMENT OF ALZHEIMERS DISEASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-29 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 (10 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-20160152598-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CA12 3642/4885CA1 1743/4885CA2 2423/4885
US-10899752-B2 2,3-dihydro-4H-1,3-benzoxazin-4-one derivatives as modulators of cholinergic muscarinic M1 receptor CHRM1, CHRM4, CHRM2 CA12 2620/4885CA1 1517/4885CA2 1820/4885
US-20160152603-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CA12 3642/4885CA1 1743/4885CA2 2423/4885
US-20240109874-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CA12 3642/4885CA1 1743/4885CA2 2423/4885
US-20260092052-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM2, CHRM4 CA12 2752/4885CA1 871/4885CA2 1084/4885
US-20220411413-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CA12 3642/4885CA1 1743/4885CA2 2423/4885
US-20170027921-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CA12 3642/4885CA1 1743/4885CA2 2423/4885
US-20160376244-A1 HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CA12 3699/4885CA1 2040/4885CA2 2736/4885
US-20210009572-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRNA5 CA12 3863/4885CA1 2620/4885CA2 2344/4885
US-20150307451-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND CHRM1, CHRM5, CHRM2 CA12 3642/4885CA1 1743/4885CA2 2423/4885

“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.