SCHEMBL68740

SCHEMBL68740

COc1cccc(OC)c1C(=O)P(C)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TAAR1 Q96RJ0 1/20 0.47
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 1/20 0.41
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL7185616 0.90 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7183581 0.86 KMT2A (0.46) HTTALDH1A1MEN1KMT2ARAB9A
SCHEMBL7862158 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL247258 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL68471 0.85 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL2703815 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
Phosphine SCHEMBL28206448 0.83 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL3243587 0.82 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL69539 0.80 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL5144083 0.80 CA12 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4056658-A1 RADIATION-CURABLE COMPOUND Marabu GmbH & Co. KG (DE) 2022-09-14 EP claimed
EP-2236571-B1 Ink composition FUJIFILM CORP (JP) 2016-08-31 EP disclosed
US-8436069-B2 Ink composition FUJIFILM CORPORATION (JP) 2013-05-07 US disclosed
US-8436069-B2 Ink composition FUJIFILM CORPORATION (JP) 2013-05-07 US disclosed
US-8420714-B2 Ink composition, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-04-16 US disclosed
US-8420714-B2 Ink composition, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-04-16 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8378002-B2 Aqueous ink composition, aqueous ink composition for inkjet recording, and inkjet recording method FUJIFILM CORPORATION (JP) 2013-02-19 US disclosed
US-8366818-B2 Photocurable composition FUJIFILM CORPORATION (JP) 2013-02-05 US disclosed
US-8366818-B2 Photocurable composition FUJIFILM CORPORATION (JP) 2013-02-05 US disclosed
US-20080180503-A1 INK SET FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
US-20080180503-A1 INK SET FOR INKJET RECORDING AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2008-07-31 US disclosed
US-20070007698-A1 Method of producting three-dimensional model FUJIFILM CORPORATION (JP) 2007-01-11 US disclosed
US-20070007698-A1 Method of producting three-dimensional model FUJIFILM CORPORATION (JP) 2007-01-11 US disclosed
CN-1200943-C Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2005-05-11 CN disclosed
US-6579663-B2 Chemical intermediates such as lithium 2,6-dimethylbenzoyl phenylphosphine for preparation of acylphosphines, acylphosphine oxides or acylphosphine sulfides CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US disclosed
US-20020107413-A1 Organometallic monoacylarylphosphines WOLF JEAN-PIERRE (CH) 2002-08-08 US disclosed
US-6399805-B2 SUCH AS LITHIUM 2,6-DIMETHYLBENZOYLPHENYLPHOSPHINE, USE AS PHOTOINITIATORS IN PHOTOCURABLE COMPOSITIONS SUCH AS FOR PHOTOGRAPHIC PRODUCTION OF RELIEF IMAGES CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-04 US disclosed
US-20010031898-A1 Organometallic monoacylarylphosphines CIBA SPECIALTY CHEMICALS CORP. 2001-10-18 US disclosed
CN-1308081-A Organometallic acyl-aryl phosphine CIBA SC HOLDING AG (CH) 2001-08-15 CN 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-20020107413-A1 Organometallic monoacylarylphosphines CBR1, NAF1, DHCR24 CA12 1552/4885CA1 2219/4885CA2 2297/4885
US-20010031898-A1 Organometallic monoacylarylphosphines NAF1, DHCR24, CBR1 CA12 1320/4885CA1 2302/4885CA2 2346/4885

“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.