SCHEMBL9996134

SCHEMBL9996134

CSc1ccccc1Br.[MgH2]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
LMNA P02545 3/20 0.42
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
IDO1 P14902 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
CHRM2 P08172 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
PDE7A Q13946 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33

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
SCHEMBL29682390 0.97
SCHEMBL890738 0.97
SCHEMBL14951410 0.78 ALDH1A1 (0.44) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL28029391 0.77 HTR7 (0.35) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL812717 0.76 ALDH1A1 (0.43) LMNAALDH1A1KDM4ERAB9APOLB
SCHEMBL2783311 0.75 ALDH1A1 (0.39) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL31412108 0.75 APOBEC3G (0.46) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL29543575 0.75 LMNA (0.57) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL3282096 0.75 LMNA (0.57) HTR7MAOAMAOBLMNAALDH1A1
SCHEMBL224791 0.75 APOBEC3G (0.46) HTR7MAOAMAOBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3653616-B1 FULLERENE DERIVATIVES, AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2021-10-27 EP disclosed
US-20200161557-A1 FULLERENE DERIVATIVES, AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-05-21 US disclosed
EP-3653616-A1 FULLERENE DERIVATIVES, AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-05-20 EP disclosed
EP-2583326-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2013-04-24 EP disclosed
WO-2011158211-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2011-12-22 WO disclosed
US-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS BASF SE (DE) 2011-12-22 US disclosed
US-4857549-A Antitumor compounds SMITHKLINE BECKMAN CORPORATION (US) 1989-08-15 US disclosed
EP-0151046-B1 ANTITUMOR PHARMACEUTICAL COMPOSITIONS AND COMPOUNDS FOR TREATING TUMORS EMPLOYING (ALPHA-OMEGA-BIS(DISUBSTITUTEDPHOSPHINO)-HYDROCARBON) DIGOLD(I), DIGOLD(III), DISILVER(I), AND DICOPPER(I) DERIVATIVES SMITHKLINE BECKMAN CORPORATION (US) 1989-06-14 EP disclosed
US-4766226-A Antitumor pharmaceutical compositions and methods for treating tumors employing α,ω-bis(disubstitutedphosphino)hydrocarbon derivatives or [α, ω-bis(disubstitutedphosphino)hydrocarbon] di SMITHKLINE BECKMAN CORPORATION (US) 1988-08-23 US disclosed
EP-0151046-A2 Antitumor pharmaceutical compositions and compounds for treating tumors employing (alpha-omega-bis(disubstitutedphosphino)-hydrocarbon) digold(I), digold(III), disilver(I), and dicopper(I) derivatives SMITHKLINE BECKMAN CORPORATION (US) 1985-08-07 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-20110308592-A1 USE OF SUBSTITUTED PERYLENES IN ORGANIC SOLAR CELLS PPOX, JUP, CRY2 HTR7 1340/4885MAOA 3243/4885MAOB 3503/4885
US-20200161557-A1 FULLERENE DERIVATIVES, AND ORGANIC PHOTOELECTRIC DEVICE, IMAGE SENSOR, AND ELECTRONIC DEVICE INCLUDING THE SAME NCS1, FOXK1, ESR1 HTR7 4052/4885MAOA 2448/4885MAOB 2344/4885

“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.