SCHEMBL219668

SCHEMBL219668

OB(O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
TSHR P16473 3/20 0.48
CALM1 P0DP23 1/20 0.45
ARG2 P78540 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
IDO1 P14902 2/20 0.42
THRB P10828 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
AKR1B1 P15121 1/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
ENPP2 Q13822 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41

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
Ethylene Glycol SCHEMBL8392416 0.92 CA1 (0.50) CA1CA2TSHRCALM1ARG2
SCHEMBL25377641 0.88 CA1 (0.46) CA1CA2TSHRCALM1ARG2
Pyridine SCHEMBL1581039 0.88 CA1 (0.46) CA1CA2TSHRARG2TDP1
SCHEMBL28433271 0.86 CA1 (0.45) CA1CA2TSHRCALM1ARG2
SCHEMBL257595 0.85 CA1 (0.50) CA1CA2TSHRIDO1ALDH1A1
Dipyridyl SCHEMBL1897600 0.82 KDM4E (0.56) CA1CA2TSHRTDP1ALDH1A1
Bromide SCHEMBL5053706 0.81 NOTUM (0.52) CA1CA2HSD17B10
SCHEMBL29194264 0.80 ENPP2 (0.43) CA1CA2ALDH1A1ENPP2ALOX12
SCHEMBL28946029 0.79 LMNA (0.63) MAOB
SCHEMBL12030986 0.79 AGXT (0.50) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12624275-B1 Temperature-resistant and salt-tolerant in-situ plugging enhanced gel compositions, gels, preparation methods and applications CHINA UNIVERSITY OF PETROLEUM-BEIJING (CN) 2026-05-12 US claimed
CN-119144968-A Method for preparing 4,4' -biphenol compound by electrochemical method 万华化学集团股份有限公司 2024-12-17 CN claimed
WO-2024254448-A2 BORONATE PRODRUG NANOFORMULATIONS IN DISEASE TREATMENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-12-12 WO claimed
WO-2024172224-A1 METHOD FOR PRODUCING PH-SENSITIVE MATERIAL, AND ECO-FRIENDLY BATTERY INCLUDING PH-SENSITIVE MATERIAL PRODUCED THEREBY 한국기계연구원 2024-08-22 WO claimed
CN-117986594-A Synthesis method of solid polyboronic acid ester 无锡琛鹏科技有限公司 2024-05-07 CN claimed
CN-117343090-A Chemiluminescent probe, preparation method thereof and application thereof in biological imaging 湖南大学 2024-01-05 CN claimed
CN-116478199-A Bimetallic catalyst and preparation method thereof, and preparation method of high molecular weight olefin polymer 万华化学集团股份有限公司 2023-07-25 CN claimed
CN-116023209-A Synthesis method of intermediate and process for preparing bifonazole 重庆西南制药二厂有限责任公司 2023-04-28 CN claimed
CN-114644646-A Near-infrared fluorescent probe with benzylboronic acid pinacol esters as detection groups and preparation method and application thereof 西北工业大学 2022-06-21 CN claimed
US-10640592-B2 Cation polymer capable of removing positive charges through oxidative response, a preparation method and application ZHEJIANG UNIVERSITY (CN) 2020-05-05 US claimed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US claimed
WO-1996040652-A1 METHOD FOR PREPARING N-MONOSUBSTITUTED AND N,N'-DISUBSTITUTED UNSYMMETRICAL CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-19 WO claimed
WO-1996039393-A1 METHOD FOR PREPARING N, N'-DISUBSTITUED CYCLIC UREAS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-12-12 WO claimed
US-5559110-A HIV ANTIVIRAL, GOOD SYSTEMIC ABSORPTION ADMINISTERED BY MOUTH THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-09-24 US claimed
US-5543517-A VIRICIDES THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-08-06 US claimed
US-5532357-A Method for preparing N-monosubstituted and N,N'-disubstituted unsymmetrical cyclic ureas THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-02 US claimed
EP-0691961-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-01-17 EP claimed
EP-0686151-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-12-13 EP claimed
WO-1994022840-A1 SUBSTITUTED CAPROLACTAMS AND DERIVATIVES THEREOF USEFUL FOR TREATMENT OF HIV DISEASE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO claimed
WO-1994019329-A1 SUBSTITUTED CYCLIC CARBONYLS AND DERIVATIVES THEREOF USEFUL AS RETROVIRAL PROTEASE INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-09-01 WO 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 (2 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-12624275-B1 Temperature-resistant and salt-tolerant in-situ plugging enhanced gel compositions, gels, preparation methods and applications SAV1, MYD88, SMCHD1 CA1 998/4885CA2 401/4885TSHR 2036/4885
US-10640592-B2 Cation polymer capable of removing positive charges through oxidative response, a preparation method and application SLC7A1, PBRM1, PHAX CA1 3065/4885CA2 366/4885TSHR 2627/4885

“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.