SCHEMBL441865

SCHEMBL441865

NC(=O)c1cc(O)cc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.58
CA12 O43570 4/20 0.57
CA1 P00915 4/20 0.57
CA2 P00918 4/20 0.57
CA7 P43166 4/20 0.57
CA9 Q16790 4/20 0.57
CA14 Q9ULX7 4/20 0.57
CA5A P35218 1/20 0.55
FASN P49327 1/20 0.50
BACE1 P56817 1/20 0.47
CYP3A4 P08684 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
Hydrochloric Acid SCHEMBL31548602 0.97 PARP1 (0.56) PARP1CA12CA1CA2CA7
SCHEMBL1807480 0.94 PARP1 (0.58) PARP1CA12CA1CA2CA7
Butane SCHEMBL6001783 0.88 CA12 (0.50) PARP1CA12CA1CA2CA7
Resorcinol SCHEMBL8376233 0.88 PARP1 (0.79) PARP1CA12CA1CA2CA7
SCHEMBL6093793 0.85 PARP1 (0.50) PARP1CA12CA1CA2CA7
SCHEMBL1804171 0.85 CA12 (0.68) PARP1CA12CA1CA2CA7
SCHEMBL25159913 0.83 PARP1 (0.52) PARP1CA12CA1CA2CA7
SCHEMBL13917960 0.83 HCAR1 (0.65) PARP1CA12CA1CA2CA7
SCHEMBL4339312 0.83 HCAR1 (0.65) PARP1CA12CA1CA2CA7
SCHEMBL31196365 0.83 HCAR1 (0.65) PARP1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119735798-B Polycarbonate capable of being self-repaired at normal temperature and preparation method thereof 万华化学集团股份有限公司 2026-05-19 CN claimed
WO-2025262615-A1 ANTIOXIDANTS CONTAINING DIAZIRINE FUNCTIONALITIES, COMPOSITIONS COMPRISING THEM AND USE THEREOF BELLARE ANUJ (US) 2025-12-26 WO claimed
CN-119735798-A Polycarbonate capable of being self-repaired at normal temperature and preparation method thereof 万华化学集团股份有限公司 2025-04-01 CN claimed
CN-118724760-A Preparation method of amido guanidine compound and myocardial protection effect thereof 天津理工大学 2024-10-01 CN claimed
CN-115368586-A Hydrogel and preparation method thereof 广州万古医疗科技有限公司 2022-11-22 CN claimed
CN-114395129-A Preparation method of polyether polyol with photodegradation characteristic 山东一诺威新材料有限公司 2022-04-26 CN claimed
CN-108963389-B Gelable system for lithium-air battery and preparation method and application thereof 北京师范大学 2020-11-13 CN claimed
US-20200205541-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND L'OREAL (FR) 2020-07-02 US claimed
EP-3637524-A1 GELATINIZED SYSTEM AND APPLICATIONS IN LITHIUM AIR BATTERY, SUPER CAPACITOR OR CAPACITOR BATTERY IN ORGANIC SYSTEM Beijing Normal University (CN) 2020-04-15 EP claimed
EP-3637525-A1 FLEXIBLE ALL-SOLID-STATE LITHIUM-ION SECONDARY BATTERY AND MANUFACTURING METHOD THEREFOR Beijing Normal University (CN) 2020-04-15 EP claimed
WO-2007022824-A1 USE OF NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-03-01 WO claimed
US-20060293317-A1 Use of non-steroidal progesterone receptor modulators BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-12-28 US claimed
EP-1467982-B1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMA (US) 2006-11-22 EP claimed
US-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-11-11 US claimed
EP-1467982-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-10-20 EP claimed
WO-2004075864-A2 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-09-10 WO claimed
US-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-18 US claimed
WO-2003059899-A1 GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL FORMULATIONS CONTAINING THEM AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-07-24 WO claimed
US-5843618-A Hydrogen bond donating/accepting thermal solvents for image separation systems EASTMAN KODAK COMPANY (US) 1998-12-01 US claimed
US-5821039-A PROVIDES BLACK AND WHITE IMAGE USING CONVENTIONAL COLOR NEGATIVE PROCESSING EASTMAN KODAK COMPANY (US) 1998-10-13 US claimed

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-20200205541-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN AROMATIC COMPOUND KRT18, TUBB4A, TUBB4B PARP1 1371/4885CA12 1543/4885CA1 2454/4885
US-20030232823-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical formulations, and uses thereof NR3C1, NR3C2, MC2R PARP1 3616/4885CA12 3205/4885CA1 1921/4885
US-20060293317-A1 Use of non-steroidal progesterone receptor modulators SHBG, PGR, NR5A1 PARP1 4180/4885CA12 1125/4885CA1 2054/4885
US-20040224992-A1 Glucocorticoid mimetics, methods of making them, pharmaceutical compositions, and uses thereof NR3C1, NR3C2, MC2R PARP1 3405/4885CA12 2514/4885CA1 1481/4885

“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.