SCHEMBL3543067

SCHEMBL3543067

CCC1(C)CCCC(=O)C1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
CYP2C19 P33261 1/20 0.45
TSHR P16473 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRIM24 O15164 2/20 0.32
TRIM33 Q9UPN9 2/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL12648094 1.00 KDM4E (0.45) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL16179651 1.00 KDM4E (0.45) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL8605321 0.94 KDM4E (0.43) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL7752623 0.86
SCHEMBL28747920 0.86 KDM4E (0.43) KDM4ELMNACYP2C19TSHRNPSR1
SCHEMBL20204315 0.83 KDM4E (0.33) KDM4ELMNACYP2C19
SCHEMBL16391571 0.81 TRIM24 (0.31) KDM4ELMNACYP2C19TRIM24TRIM33
SCHEMBL16317445 0.80 SIRT2 (0.36) KDM4ELMNACYP2C19
SCHEMBL16193210 0.80 SIRT2 (0.36) KDM4ELMNACYP2C19
SCHEMBL17582524 0.80 SIRT2 (0.36) KDM4ELMNACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636670-B2 Catalysts, ligands and use thereof OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-02 US disclosed
US-20160074852-A1 CATALYSTS, LIGANDS AND USE THEREOF ISIS INNOVATION LIMITED (GB) 2016-03-17 US disclosed
EP-2986375-A2 CATALYSTS, LIGANDS AND USE THEREOF Isis Innovation Limited (GB) 2016-02-24 EP disclosed
WO-2014170642-A2 CATALYSTS, LIGANDS AND USE THEREOF ISIS INNOVATION LIMITED (GB) 2014-10-23 WO disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed
US-5908945-A COPPER COMPOUND AND SILYL REAGENT AS CATALYSTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-06-01 US disclosed
CN-1039023-C Film of polycarbonate BAYER AG (DE) 1998-07-08 CN disclosed
EP-0393454-A2 Heat-resistant polycarbonate moulding composition BAYER AG (DE) 1990-10-24 EP disclosed
US-4964890-A GAS-PERMEABLE FILMS OF A THERMOPLASTIC POLYETHER HAVING DIHYDROXYBENZOPHENONE AND DIHYDROXYDIPHENYLCYCLOALKANE UNITS; DIMENSIONAL STABILITY; HEAT RESISTANCE; MEMBRANES BAYER AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
EP-0365917-A1 Polymer mixtures BAYER AG (DE) 1990-05-02 EP disclosed
EP-0365916-A1 Polymer mixtures BAYER AG (DE) 1990-05-02 EP disclosed
EP-0364741-A1 Aromatic polyetherketones BAYER AG (DE) 1990-04-25 EP disclosed
CN-1041606-A The mixture of special polycarbonates and other thermoplastics elastomer-formings BAYER AG (DE) 1990-04-25 CN disclosed
EP-0362603-A1 Aromatic Polyethersulfones BAYER AG (DE) 1990-04-11 EP disclosed
EP-0362646-A2 Mixture of special polycarbonates and other thermoplasts or elastomers BAYER AG (DE) 1990-04-11 EP disclosed
CN-1041151-A Dihydroxydiphenylcycloalkanes, process for their preparation and their use for preparing high molecular weight polycarbonates BAYER AG (DE) 1990-04-11 CN disclosed
EP-0359953-A1 Dihydroxydiphenylcycloalkanes, their preparation and their use for the preparation of high molecular polycarbonates BAYER AG (DE) 1990-03-28 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 (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-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 KDM4E 3147/4885LMNA 2988/4885CYP2C19 3689/4885
US-20160074852-A1 CATALYSTS, LIGANDS AND USE THEREOF SPR, SQOR, COASY KDM4E 2877/4885LMNA 3379/4885CYP2C19 438/4885

“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.