SCHEMBL4098218

SCHEMBL4098218

CCOP1(=O)Oc2ccccc2O1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
APEX1 P27695 1/20 0.34
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL9121273 0.83 ALDH1A1 (0.37) ALDH1A1TSHRNPSR1MEN1KMT2A
SCHEMBL2109471 0.82 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTTSHRPOLB
SCHEMBL9120692 0.80 TSHR (0.41) ALDH1A1TSHR
SCHEMBL4269649 0.79 TSHR (0.42) ALDH1A1KDM4EMAPTTSHRPOLB
SCHEMBL9121980 0.79 POLB (0.42) ALDH1A1KDM4EMAPTAPEX1TSHR
SCHEMBL9120730 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTAPEX1TSHR
SCHEMBL9123234 0.75 ALDH1A1 (0.33) ALDH1A1
SCHEMBL4265934 0.75 CYP3A4 (0.40) ALDH1A1KDM4EMAPTTSHRNPSR1
SCHEMBL9125804 0.75 NFE2L2 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL26455939 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0135683-B1 METHOD FOR PRODUCTION OF CEPHALOSPORIN COMPOUNDS Takeda Chemical Industries, Ltd. (JP) 1987-07-22 EP claimed
US-4642365-A REACTING A PYROCATECHOL DERIVATIVE AND DIHALOPHOSPHOROUS COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-10 US claimed
EP-0135683-A1 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1985-04-03 EP claimed
US-7622487-B2 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20090186874-A1 Carboxamide derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 US disclosed
WO-2006115286-A1 PIPERIDINE DERIVATIVES, CRYSTAL, PROCESS FOR PRODUCING THE SAME, AND USE AS TACHIKININ RECEPTOR ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-02 WO disclosed
US-20060241145-A1 Piperidine derivative crystal, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-10-26 US disclosed
EP-1705176-A1 CARBOXAMIDE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-09-27 EP disclosed
US-20060167052-A1 Piperidine derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-27 US disclosed
EP-1553084-A1 PIPERIDINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-07-13 EP disclosed
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-02-17 US disclosed
US-4642365-A REACTING A PYROCATECHOL DERIVATIVE AND DIHALOPHOSPHOROUS COMPOUND TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1987-02-10 US disclosed
EP-0203271-A2 Antibacterial compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1986-12-03 EP disclosed
WO-1986005183-A1 ANTIBACTERIAL COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-09-12 WO disclosed
EP-0164122-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0164113-A2 3-pyrazolo(1,5-a)pyridinium cephem compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1985-12-11 EP disclosed
EP-0160969-A2 Cephem compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-13 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed
EP-0135683-A1 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1985-04-03 EP disclosed
EP-0074611-A2 Method for production of cephalosporin compounds Takeda Chemical Industries, Ltd. (JP) 1983-03-23 EP 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-20060167052-A1 Piperidine derivative, process for producing the same, and use OPRL1, OXTR, OPRM1 ALDH1A1 1152/4885KDM4E 1093/4885MAPT 4500/4885
US-20060241145-A1 Piperidine derivative crystal, process for producing the same, and use PKD2, PKD1, TACR1 ALDH1A1 1532/4885KDM4E 1883/4885MAPT 1837/4885
US-20090186874-A1 Carboxamide derivative and use thereof NTSR2, NTSR1, CNR2 ALDH1A1 2419/4885KDM4E 2457/4885MAPT 4701/4885
US-20050038072-A1 Nitrogeneous cyclic ketone derivative, process for producing the same, and use BDKRB1, BDKRB2, TACR1 ALDH1A1 1984/4885KDM4E 2064/4885MAPT 4499/4885

“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.