SCHEMBL9946020

SCHEMBL9946020

CB(C)c1cccc(-c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.61
MAOA P21397 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
KMO O15229 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
ALOX5 P09917 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
BCR P11274 1/20 0.36
AGXT P21549 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
HSD17B1 P14061 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
SCHEMBL14379304 0.79 ENPP2 (0.36) MGLLALDH1A1
SCHEMBL17244365 0.79 MGLL (0.64) MGLLMAOACA1CA2HDAC8
SCHEMBL14379316 0.78 MEN1 (0.48) MGLLMAOACA1CA2KMO
SCHEMBL66838 0.76 MGLL (1.00) MGLLMAOAALDH1A1CA1CA2
SCHEMBL29992604 0.76 MGLL (1.00) MGLLMAOAALDH1A1CA1CA2
SCHEMBL734255 0.76
SCHEMBL14983391 0.76 MGLL (0.55) MGLLMAOAALDH1A1CA1CA2
SCHEMBL1542734 0.74 MGLL (0.95) MGLLMAOAALDH1A1CA1CA2
SCHEMBL14653454 0.74 MGLL (0.95) MGLLMAOAALDH1A1CA1CA2
SCHEMBL1542869 0.74 MGLL (0.95) MGLLMAOAALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150340626-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-11-26 US disclosed
US-20150340626-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-11-26 US disclosed
US-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-7985491-B2 Anthrylarylene derivative, material for organic electroluminescence device and organic electroluminescence device using same IDEMITSU KOSAN CO., LTD. (JP) 2011-07-26 US disclosed
US-20070088185-A1 Anthrylarylene derivative, material for organic electroluminescence device and organic electroluminescence device using same IDEMITSU KOSAN CO., LTD. (JP) 2007-04-19 US 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 (3 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 MGLL 2486/4885MAOA 809/4885ALDH1A1 4010/4885
US-20070088185-A1 Anthrylarylene derivative, material for organic electroluminescence device and organic electroluminescence device using same RABGGTA, ALAD, GCDH MGLL 525/4885MAOA 96/4885ALDH1A1 139/4885
US-20150340626-A1 ORGANIC COMPOUND, COMPOSITION, ORGANIC OPTOELECTRIC DEVICE, AND DISPLAY DEVICE OXER1, OR10J3, OCIAD1 MGLL 1896/4885MAOA 461/4885ALDH1A1 101/4885

“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.