SCHEMBL4625558

SCHEMBL4625558

CCCCCCCc1ccc([I+]c2ccc(CCCCCCC)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.61
ADRA2A P08913 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
TACR2 P21452 2/20 0.61
SLC6A2 P23975 2/20 0.61
SLC6A4 P31645 2/20 0.61
SLC6A3 Q01959 2/20 0.61
ALDH1A1 P00352 2/20 0.61
HSD17B10 Q99714 2/20 0.61
KDM4E B2RXH2 1/20 0.61
LMNA P02545 1/20 0.61
SHBG P04278 1/20 0.61
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
HSPD1 P10809 1/20 0.61
ADRB3 P13945 1/20 0.61
HTR2C P28335 1/20 0.61
HSPE1 P61604 1/20 0.61
HIF1A Q16665 1/20 0.61
TST Q16762 1/20 0.61

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
SCHEMBL29967650 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL776564 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL30658158 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL29967999 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4838512 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL11149602 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL29988340 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL776646 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL30702813 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL29967851 1.00 ESR1 (0.61) ESR1ADRA2AADORA3TACR2SLC6A2

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4835193-A SULFONIUM IOR IODONIUM SALT OF HETEROPOLY ACID KABUSHIKI KAISHA TOSHIBA (JP) 1989-05-30 US claimed
EP-0136679-B1 PHOTOPOLYMERIZABLE EPOXY RESIN COMPOSITION KABUSHIKI KAISHA TOSHIBA (JP) 1987-12-16 EP claimed
EP-0136679-A2 Photopolymerizable epoxy resin composition KABUSHIKI KAISHA TOSHIBA (JP) 1985-04-10 EP claimed
US-11883510-B2 Dental composition comprising a particulate carrier supporting a coinitiator DENTSPLY SIRONA INC. (US) 2024-01-30 US disclosed
US-11844848-B2 Photocurable dental composition DENTSPLY SIRONA INC. (US) 2023-12-19 US disclosed
CN-111050730-B Photoinitiator-modified polyacid polymers 登特斯普伊德特雷有限公司 2023-07-28 CN disclosed
US-11628125-B2 Photoinitiator modified polyacidic polymer DENTSPLY SIRONA INC. (US) 2023-04-18 US disclosed
US-20230100120-A1 DENTAL COMPOSITION COMPRISING A PARTICULATE CARRIER SUPPORTING A COINITIATOR DENTSPLY SIRONA INC. (US) 2023-03-30 US disclosed
EP-3675799-B1 DENTAL COMPOSITION COMPRISING A PARTICULATE CARRIER SUPPORTING A COINITIATOR DENTSPLY DETREY GMBH (DE) 2022-10-19 EP disclosed
EP-3470048-B1 PHOTOCURABLE DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2021-11-10 EP disclosed
EP-3675800-B1 PHOTOINITIATOR MODIFIED POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2021-09-22 EP disclosed
EP-0931103-B1 MONOMERS, OLIGOMERS AND POLYMERS WITH TERMINAL OXIRANE GROUPS, METHOD OF PREPARATION AND POLYMERISATION UNDER RADIATION EXPOSURE UCB SA (BE) 2004-06-09 EP disclosed
US-6706403-B1 Rigid substrate lamination adhesive 3M INNOVATIVE PROPERTIES COMPANY 2004-03-16 US disclosed
EP-1280868-A1 RIGID SUBSTRATE LAMINATION ADHESIVE 3M Innovative Properties Company (US) 2003-02-05 EP disclosed
US-6417243-B1 POLYESTERURETHANE BLOCKS UCB, S.A. (BE) 2002-07-09 US disclosed
WO-2001088053-A1 RIGID SUBSTRATE LAMINATION ADHESIVE 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-11-22 WO disclosed
WO-2001087595-A1 RIGID SUBSTRATE LAMINATION PROCESS, SYSTEM, AND PRODUCT 3M INNOVATIVE PROPERTIES COMPANY (US) 2001-11-22 WO disclosed
US-4835193-A SULFONIUM IOR IODONIUM SALT OF HETEROPOLY ACID KABUSHIKI KAISHA TOSHIBA (JP) 1989-05-30 US disclosed
EP-0136679-B1 PHOTOPOLYMERIZABLE EPOXY RESIN COMPOSITION KABUSHIKI KAISHA TOSHIBA (JP) 1987-12-16 EP disclosed
EP-0136679-A2 Photopolymerizable epoxy resin composition KABUSHIKI KAISHA TOSHIBA (JP) 1985-04-10 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-20230100120-A1 DENTAL COMPOSITION COMPRISING A PARTICULATE CARRIER SUPPORTING A COINITIATOR PICALM, PDS5B, CLTA ESR1 1180/4885ADRA2A 3285/4885ADORA3 445/4885
US-11844848-B2 Photocurable dental composition TST, SULT1A1, SULT2A1 ESR1 800/4885ADRA2A 4813/4885ADORA3 4380/4885
US-11628125-B2 Photoinitiator modified polyacidic polymer DOHH, OGDH, GGH ESR1 1240/4885ADRA2A 3938/4885ADORA3 2559/4885
US-11883510-B2 Dental composition comprising a particulate carrier supporting a coinitiator PICALM, PDS5B, CLTA ESR1 1180/4885ADRA2A 3285/4885ADORA3 445/4885

“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.