SCHEMBL4267264

SCHEMBL4267264

CC1(C)C=C(c2cc3ccccc3o2)C(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.40
ATM Q13315 1/20 0.40
MAOB P27338 5/20 0.39
MAOA P21397 3/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39
BRD4 O60885 2/20 0.38
CREBBP Q92793 2/20 0.38
KMT2A Q03164 4/20 0.37
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
NPC1 O15118 1/20 0.37
NFKB1 P19838 1/20 0.37

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
SCHEMBL4269309 0.76 PTPRC (0.40) PRKDCATMMAOBMAOAPTPRC
SCHEMBL4269525 0.72 GSTP1 (0.42) KDM4EALDH1A1HPGD
SCHEMBL4265758 0.72 ALDH1A1 (0.36) PRKDCBRD4KMT2AKDM4EMEN1
SCHEMBL4273428 0.71 SIGMAR1 (0.38) MAOBMAOABRD4KMT2AMEN1
SCHEMBL7829889 0.70 PTPRC (0.41) MAOBMAOAPTPRCPTPN1BRD4
SCHEMBL4276998 0.70 PTPN1 (0.43) PRKDCMAOBMAOAPTPN1BRD4
SCHEMBL4264728 0.68 NPC1 (0.40) KMT2AKDM4EMEN1ALDH1A1SMN1; SMN2
SCHEMBL4274388 0.68 NR2F2 (0.49) BRD4CREBBPCA9CA1CA12
SCHEMBL103158 0.67 MAOB (0.63) MAOBMAOAPTPRCPTPN1KDM4E
SCHEMBL30036439 0.67 MAOB (0.63) MAOBMAOAPTPRCPTPN1KDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605183-B2 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2009-10-20 US disclosed
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions KOYAMA SHOZO 2008-08-21 US disclosed
US-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO 2007-03-22 US disclosed
EP-0780122-B1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE KOYAMA SHOZO (JP) 2006-11-22 EP disclosed
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2004-11-11 US disclosed
US-6710090-B2 A CYCLOHEX-1-EN-2-ONE COMPOUND KOYAMA SHOZO (JP) 2004-03-23 US disclosed
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions KOYAMA SHOZO (JP) 2002-11-07 US disclosed
US-6346551-B1 ANTIBACTERIAL, ANTIFUNGAL, ANTIVIRAL, BACTERICIDAL AND/OR STERILIZATION AGENTS, ANTICANCER DRUGS, BLOOD COAGULATION AND FIBRINOLYSIS INHIBITORS AND/OR BLOCKING AGENTS, INHIBITORY AND/OR BLOCKING AGENTS OF ANTIGEN-ANTIBODY REACTIONS KOYAMA SHOZO (JP) 2002-02-12 US disclosed
EP-0780122-A1 DEPRESSANT OF FUNCTIONS DEVELOPED BY MOLECULE Koyama, Shozo (JP) 1997-06-25 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-20070066654-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, SERPINB6, CD74 PRKDC 1560/4885ATM 3925/4885MAOB 1118/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 PRKDC 479/4885ATM 112/4885MAOB 1119/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 PRKDC 1204/4885ATM 4278/4885MAOB 1157/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 PRKDC 1565/4885ATM 3743/4885MAOB 1384/4885

“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.