SCHEMBL4095120

SCHEMBL4095120

C=C1CC1(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.41
MAOA P21397 7/20 0.41
KCNH2 Q12809 1/20 0.37
EGFR P00533 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
KDM1A O60341 3/20 0.37
PNMT P11086 1/20 0.36

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
SCHEMBL4096980 0.89 ALDH1A1 (0.39) MAOBMAOAKDM1A
SCHEMBL4096847 0.87 KDM1A (0.43) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL4085436 0.83 KDM1A (0.34) MAOBMAOAKCNH2EGFRKDM1A
SCHEMBL4082596 0.83 SLC6A2 (0.36) MAOBMAOA
SCHEMBL4083002 0.82 SLC6A4 (0.41) KDM1A
SCHEMBL4099398 0.76 SLC6A3 (0.39) KDM1A
SCHEMBL4087444 0.74 MAOB (0.46) MAOBMAOAEGFRKDM1A
SCHEMBL4082808 0.74 CCR2 (0.42) MAOBMAOAOPRM1OPRK1OPRL1
SCHEMBL15657386 0.72 CFTR (0.45) MAOBMAOAKCNH2EGFROPRM1
SCHEMBL16529973 0.72 OPRM1 (0.42) MAOBMAOAKCNH2OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100512582-C Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2009-07-08 CN disclosed
US-20090163743-A1 LUMINESCENCE SYSTEM, METHOD OF LUMINESCENCE, AND CHEMICAL SUBSTANCE FOR LUMINESCENCE HOSHI YOUSUKE 2009-06-25 US disclosed
US-20070138945-A1 Luminescence system, method of luminescence, and chemical substance for luminescence HITACHI CHIEMICAL CO., LTD., (JP) 2007-06-21 US disclosed
CN-1898995-A Light emitting system, light emitting method and chemical substance for light emission HITACHI CHEMICAL CO LTD (JP) 2007-01-17 CN disclosed
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 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-20070138945-A1 Luminescence system, method of luminescence, and chemical substance for luminescence GLO1, TYR, GUSB MAOB 65/4885MAOA 75/4885KCNH2 1886/4885
US-20090163743-A1 LUMINESCENCE SYSTEM, METHOD OF LUMINESCENCE, AND CHEMICAL SUBSTANCE FOR LUMINESCENCE GLO1, TYR, GUSB MAOB 65/4885MAOA 75/4885KCNH2 1886/4885

“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.