SCHEMBL3869746

SCHEMBL3869746

CCCCCCCCOc1cccc(I)c1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 4/20 0.47
MEN1 O00255 1/20 0.46
NR1I2 O75469 1/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 1/20 0.46
CYP3A4 P08684 1/20 0.46
ADRA2A P08913 1/20 0.46
MAPT P10636 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MCHR1 Q99705 2/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
THRA P10827 2/20 0.42
THRB P10828 2/20 0.42
SOAT1 P35610 1/20 0.42

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
SCHEMBL27963565 0.94 CYP1A2 (0.49) PTPN11MCHR1CYP1A2CYP2C9CYP2C19
Sulfuric Acid SCHEMBL3863244 0.88 PTPN11 (0.44) PTPN11MEN1NR1I2LMNACHRM2
Trifluoromethanesulfonic Acid SCHEMBL8736419 0.87 PTPN11 (0.43) PTPN11MEN1NR1I2LMNACHRM2
Perflubutane SCHEMBL3873214 0.85 PTPN11 (0.42) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL9851279 0.83 KDM4E (0.49) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL5930195 0.82 LMNA (0.54) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL4660995 0.82 LMNA (0.54) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL29205221 0.82 CNR2 (0.50) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL897973 0.81 KDM4E (0.50) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL28854446 0.81 SYK (0.42) LMNAMAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009073570-A2 LIGHT- AND DUAL-CURE DENTAL RESINS AND ADHESIVES WITH INCREASED CURE AND COLOR-STABILITY, AND LOW COLOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-06-11 WO claimed
US-6969576-B2 Photosensitive dissolution inhibitors and resists based on onium salt carboxylates SANDIA NATIONAL LABORATORIES (US) 2005-11-29 US claimed
CN-101674797-B Adhesive for teeth-straightening members TOKUYAMA DENTAL CORP 2012-11-14 CN disclosed
CN-101842397-A Chemical polymerization catalyst for dental use and curable dental compositions containing the catalyst TOKUYAMA DENTAL CORP 2010-09-22 CN disclosed
CN-101674797-A Adhesive for teeth-straightening members UNIV NIHON 2010-03-17 CN disclosed
US-7601480-B2 Photoactive compounds AZ ELECTRONIC MATERIALS USA CORP. (US) 2009-10-13 US disclosed
WO-2009073570-A2 LIGHT- AND DUAL-CURE DENTAL RESINS AND ADHESIVES WITH INCREASED CURE AND COLOR-STABILITY, AND LOW COLOR BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-06-11 WO disclosed
US-20080153032-A1 Photoactive Compounds MERCK PATENT GMBH (DE) 2008-06-26 US disclosed
EP-0832936-B2 Photo-curable liquid silicone rubber compositions for templating mother molds SHINETSU CHEMICAL CO (JP) 2008-03-12 EP disclosed
US-7125236-B2 Replica molding SHIN - ETSU CHEMICAL CO. LTD. (JP) 2006-10-24 US disclosed
CN-1732883-A Cationically curable composition for dental use TOKUYAMA CORP (JP) 2006-02-15 CN disclosed
CN-1513884-A Photopolymerization initiator and composition capable of photopolymerization 株式会社德山 2004-07-21 CN disclosed
US-20030104310-A1 Photosensitive dissolution inhibitors and resists based on onium salt carboxylates NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC 2003-06-05 US disclosed
EP-0832726-B1 Replica molding SHONAN DESIGN CO LTD (JP) 2003-05-21 EP disclosed
EP-0832936-B1 Photo-curable liquid silicone rubber compositions for templating mother molds SHINETSU CHEMICAL CO (JP) 2002-12-18 EP disclosed
US-20020113334-A1 Replica molding ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-08-22 US disclosed
US-6342178-B1 FILLING MOLD CAVITY WITH PHOTOCURABLE LIQUID; IRRADIATION WITH LIGHT TO CURE; RADIATION TRANSPARENT; HIGH SPEED, SIMPLIFIED; APPLIANCES, AUTOMOBILES ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-01-29 US disclosed
US-5952397-A CURABLE UPON EXPOSURE TO LIGHT INTO PRODUCT HAVING SHORE A HARDNESS OF 20 TO 60 AND LIGHT TRANSMITTANCE OF 10% AT WALL GAGE OF 10 MM; FOR FORMING TEMPLATING MOTHER MOLD WHICH ALLOWS RESIN CAST THEREIN TO BE CURED WITH LIGHT TRANSMITTED BY WALL SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-09-14 US disclosed
EP-0832726-A2 Replica molding Shonan Design Co., Ltd. (JP) 1998-04-01 EP disclosed
EP-0832936-A1 Photo-curable liquid silicone rubber compositions for templating mother molds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-04-01 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 (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-20080153032-A1 Photoactive Compounds SUN2, CRY2, SCO2 PTPN11 2082/4885MEN1 2182/4885NR1I2 3584/4885

“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.