SCHEMBL183490

SCHEMBL183490

O=COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
PTPN1 P18031 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 5/20 0.36
TSHR P16473 3/20 0.36
KCNN4 O15554 3/20 0.36
CYP2A6 P11509 1/20 0.36
CYP1A2 P05177 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
CES1 P23141 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL131979 0.76 TDP1 (0.46) PTPN1TDP1MAPK1ALDH1A1KCNN4
SCHEMBL135668 0.76 MAPK1 (0.56) PTPN1TDP1MAPK1ALDH1A1KCNN4
SCHEMBL10357812 0.75 KIF11 (0.40) KIF11PTPN1MAPK1ALDH1A1TSHR
SCHEMBL2350015 0.75 MAPK1 (0.42) KIF11PTPN1MAPK1ALDH1A1TSHR
SCHEMBL11563303 0.73 KIF11 (0.39) KIF11PTPN1MAPK1ALDH1A1TSHR
SCHEMBL194891 0.73 PTPN1 (0.38) PTPN1TDP1MAPK1ALDH1A1TSHR
SCHEMBL12834150 0.72 SLC2A1 (0.47) TDP1MAPK1ALDH1A1TSHRCYP2A6
SCHEMBL2105137 0.72 TSHR (0.34) PTPN1TDP1MAPK1ALDH1A1TSHR
SCHEMBL4672094 0.72 KCNN4 (0.36) KIF11PTPN1TDP1MAPK1ALDH1A1
SCHEMBL28647026 0.72 PTPN1 (0.36) PTPN1TDP1MAPK1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115650827-B Preparation method, intermediate compound and synthesis method for anthracycline derivatives 戊言医药科技(上海)有限公司 2024-03-15 CN claimed
CN-106977383-B Method for preparing citral 万华化学集团股份有限公司 2020-04-10 CN claimed
CN-109824545-A A kind of preparation method of trans- -4-N-Boc amino ring amine carboxylic acid 泰州精英化成医药科技有限公司 2019-05-31 CN claimed
JP-2007501805-A 2007-02-01 JP claimed
EP-1651638-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-03 EP claimed
US-6888001-B2 Selective modulators of the nicotinic acetylcholine receptor useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function. LEE JUNG S (US) 2005-05-03 US claimed
US-20050049241-A1 Pyridyl piperazinyl ureas JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 US claimed
WO-2005014580-A1 PYRIDYL PIPERAZINYL UREAS JANSSEN PHARMACEUTICA, N.V. (BE) 2005-02-17 WO claimed
EP-1107965-B1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO MCNEIL PHARM INC (US) 2004-08-11 EP claimed
EP-0990646-B1 PROCESS FOR PREPARING 3-(7-AMIDINO-2-NAPHTHYL)-2-PHENYLPROPIONIC ACID DERIVATIVES DAIICHI SEIYAKU CO (JP) 2004-04-28 EP claimed
US-6562847-B1 Useful in the treatment of pain, Alzheimer's disease, memory loss or dementia or loss of motor function ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US claimed
EP-1107965-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION Ortho-McNeil Pharmaceutical, Inc. (US) 2001-06-20 EP claimed
WO-2000010997-A1 PYRIDYL ETHERS AND THIOETHERS AS LIGANDS FOR NICOTINIC ACETYLCHOLINE RECEPTOR AND ITS THERAPEUTIC APPLICATION ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-02 WO claimed
US-5623078-A Process for producing an intermediate of a new quinolone compound CHISSO CORPORATION (JP) 1997-04-22 US claimed
US-5234930-A Treating psychological, cardiovascular, urogenital and respiratory disorders; diabetes, asthmas, sudden infant death syndrome FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-08-10 US claimed
EP-0235796-A2 Dibenz [b,e] oxepin derivative and antiallergic and antiinflammatory agent KYOWA HAKKO KOGYO CO., LTD. (JP) 1987-09-09 EP claimed
EP-0056992-A1 Phosphorylated derivatives, pharmaceutical compositions containing such derivatives, and their use CIBA-GEIGY AG (CH) 1982-08-04 EP claimed
US-4246405-A Method for preparation of β-lactam compound FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1981-01-20 US claimed
US-4185014-A Kentenimine intermediates for 6α-methoxy-α-carboxy penicillins BEECHAM GROUP LIMITED (GB) 1980-01-22 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 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 (1 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-20050049241-A1 Pyridyl piperazinyl ureas VIPR1, UTS2R, GPR17 KIF11 4617/4885PTPN1 1821/4885TDP1 3242/4885

“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.