SCHEMBL2705448

SCHEMBL2705448

COC1(c2ccc(F)cc2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
SLC6A3 Q01959 3/20 0.33
SLC6A2 P23975 2/20 0.33
HCAR3 P49019 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRND Q07001 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
MAOB P27338 2/20 0.32
MAOA P21397 1/20 0.32
ACHE P22303 1/20 0.32
NFE2L2 Q16236 1/20 0.31

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
SCHEMBL725588 0.81 ACHE (0.36) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL10458825 0.79 CA1 (0.46) SLC6A3CHRNA1CHRNGCHRNB1CHRNB2
SCHEMBL2400193 0.79 SLC6A4 (0.34) SLC6A3SLC6A2CHRNA1CHRNGCHRNB1
SCHEMBL727037 0.78 MEN1 (0.35) LPLLIPGHCAR3HCAR2
SCHEMBL4429077 0.78 ALDH1A1 (0.35)
SCHEMBL3685323 0.78 KCNH2 (0.36) LPLLIPG
SCHEMBL727474 0.76 CYP1A1 (0.35) SLC6A3PTGS2SLC6A4
SCHEMBL17265633 0.76 TSHR (0.37) NPC1RAB9AHSD11B1
SCHEMBL6457262 0.76 ESR1 (0.35)
SCHEMBL12535871 0.75 IDO1 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10291969-A None JP disclosed
JP-7070220-A None JP disclosed
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-9957402-B2 Compound, active energy ray curable composition, cured article thereof, printing ink, and inkjet recording ink DIC CORPORATION (JP) 2018-05-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
US-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC CORPORATION (JP) 2017-06-01 US disclosed
WO-2015174402-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK DIC株式会社 2015-11-19 WO disclosed
US-8674089-B2 Michael addition reaction product and active energy ray-curable composition DIC CORPORATION (JP) 2014-03-18 US disclosed
US-6673850-B1 ODORLESS PHOTOINITIATOR COMPOUNDS HAVING CHAIN TRANSFER GROUPS CIBA SPECIALTY CHEMICALS CORPORATION 2004-01-06 US disclosed
EP-1177182-A1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS Ciba SC Holding AG (CH) 2002-02-06 EP disclosed
WO-2000068218-A1 NOVEL PHOTOINITIATORS AND THEIR APPLICATIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-11-16 WO disclosed
US-6022906-A α-aminoacetophenone photoinitiators CIBA SPECIALTY CHEMICALS CORPORATION (US) 2000-02-08 US disclosed
JP-H10291969-A NEW ALPHA-AMINOACETOPHENONE PHOTOINITIATOR CIBA SPECIALTY CHEM HOLDING INC 1998-11-04 JP disclosed
JP-H0770220-A NOVEL AROMATIC AMINOKETONE AND PHOTOINITIATOR COMPRISING SAME AND USED FOR PHOTOPOLYMERIZATION OF ETHYLENICALLY UNSATURATED COMPOUND CIBA GEIGY AG 1995-03-14 JP disclosed
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 US disclosed
EP-0138754-B1 PHOTOCURABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1988-05-25 EP disclosed
EP-0138754-A2 Photocurable compositions CIBA-GEIGY AG (CH) 1985-04-24 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-20170152391-A1 COMPOUND, ACTIVE ENERGY RAY CURABLE COMPOSITION, CURED ARTICLE THEREOF, PRINTING INK, AND INKJET RECORDING INK CCNT1, EIF4A1, MARK1 LPL 4564/4885LIPG 4797/4885SLC6A3 4133/4885

“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.