SCHEMBL3089637

SCHEMBL3089637

CCCCc1ccc(C2=NC(c3ccccc3Cl)(n3c(-c4ccccc4Cl)nc(-c4ccc(CCCC)cc4)c3-c3ccc(CCCC)cc3)N=C2c2ccc(CCCC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.47
PTAFR P25105 3/20 0.35
TDP1 Q9NUW8 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
PTGES O14684 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
GCGR P47871 1/20 0.32
CRHR1 P34998 1/20 0.32

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
SCHEMBL30358503 1.00 HSD11B1 (0.47) HSD11B1PTAFRTDP1ADORA3ADORA2A
SCHEMBL3089568 0.96 HSD11B1 (0.50) HSD11B1PTAFRPTGES
SCHEMBL30358502 0.96 HSD11B1 (0.50) HSD11B1PTAFRPTGES
SCHEMBL3094971 0.90 HSD11B1 (0.36) HSD11B1CRHR1
SCHEMBL30358509 0.86 L3MBTL1 (0.39) HSD11B1TDP1
SCHEMBL3094986 0.86 L3MBTL1 (0.39) HSD11B1TDP1
SCHEMBL29749791 0.85 HSD11B1 (0.37) HSD11B1
SCHEMBL29359500 0.85 HSD11B1 (0.37) HSD11B1
SCHEMBL307038 0.85 HSD11B1 (0.37) HSD11B1
SCHEMBL30358506 0.83 GAA (0.33) HSD11B1PTGES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4375302-A1 THIOL-CONTAINING COMPOSITION, PHOTOCURABLE COMPOSITION, AND THERMOSETTING COMPOSITION Resonac Corporation (JP) 2024-05-29 EP disclosed
WO-2023003011-A1 THIOL-CONTAINING COMPOSITION, PHOTOCURABLE COMPOSITION, AND THERMOSETTING COMPOSITION 昭和電工株式会社 2023-01-26 WO disclosed
EP-1478668-B1 THIOL COMPOUND, PHOTOPOLYMERIZATION INITIATOR COMPOSITION AND PHOTOSENSITIVE COMPOSITION SHOWA DENKO KK (JP) 2013-04-10 EP disclosed
US-8283095-B2 Thiourethane compound and photosensitive resin composition SHOWA DENKO K.K. (JP) 2012-10-09 US disclosed
US-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION SHOWA DENKO K.K. (JP) 2010-09-16 US disclosed
EP-2055726-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION Showa Denko K.K. (JP) 2009-05-06 EP disclosed
US-7341828-B2 Thiol compound, photopolymerization initiator composition and photosensitive composition SHOWA DENKO K.K. (JP) 2008-03-11 US disclosed
US-20050153231-A1 Thiol compound, photopolymerization initiator composition and photosensitive composition SHOWA DENKO K.K. (JP) 2005-07-14 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 (1 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-20100233596-A1 THIOURETHANE COMPOUND AND PHOTOSENSITIVE RESIN COMPOSITION RCOR3, CBR3, TAS2R3 HSD11B1 3197/4885PTAFR 1804/4885TDP1 1759/4885

“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.