SCHEMBL4274351

SCHEMBL4274351

CC1(C)CCC(=O)C=C1c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
HPGD P15428 1/20 0.39
ESR2 Q92731 2/20 0.38
ESR1 P03372 1/20 0.38
NR3C1 P04150 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL31678744 0.81 NPC1 (0.51) CYP19A1NPC1RAB9AHPGDALDH1A1
SCHEMBL4268745 0.75 KDM4E (0.39) CYP19A1NPC1RAB9AHPGDALDH1A1
SCHEMBL4275676 0.74 PTPN1 (0.40) CYP19A1RAB9AHPGDESR2ESR1
SCHEMBL4266629 0.73 CYP19A1 (0.34) CYP19A1ESR2ESR1ALDH1A1POLB
SCHEMBL4269244 0.73 SRD5A1 (0.37) CYP19A1NPC1RAB9AHPGDESR2
SCHEMBL4265395 0.73 ALDH1A1 (0.36) CYP19A1HPGDESR2ESR1ALDH1A1
SCHEMBL4274384 0.72 NPC1 (0.40) CYP19A1NPC1RAB9AHPGDALDH1A1
SCHEMBL4273259 0.70 CYP19A1 (0.44) CYP19A1NR3C1POLB
SCHEMBL28366181 0.70 POLB (0.58) NPC1RAB9AHPGDNR3C1ALDH1A1
SCHEMBL4276542 0.70 RAB9A (0.44) NPC1RAB9AHPGDALDH1A1LMNA

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 CYP19A1 2046/4885NPC1 4647/4885RAB9A 2728/4885
US-20020165206-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD69, TFPI, SERPINE1 CYP19A1 293/4885NPC1 2929/4885RAB9A 4227/4885
US-20040224926-A1 Inhibitory or blocking agents of molecular generating and/or inducing functions CD47, MCL1, CD74 CYP19A1 1601/4885NPC1 4264/4885RAB9A 2415/4885
US-20080200558-A1 Inhibitory or blocking agents of molecular generating and/or/ inducing functions CD47, MCL1, BAK1 CYP19A1 2309/4885NPC1 4584/4885RAB9A 2832/4885

“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.