SCHEMBL540825

SCHEMBL540825

C#CCOc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.62
MEN1 O00255 7/20 0.59
KMT2A Q03164 7/20 0.59
MAPT P10636 9/20 0.58
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
S1PR4 O95977 1/20 0.58
S1PR1 P21453 1/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HSP90AA1 P07900 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
MITF O75030 1/20 0.47
HTT P42858 1/20 0.47
CHRNB2 P17787 1/20 0.43

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
SCHEMBL13538746 0.93 NR1H4 (0.58) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL3032465 0.86 NR1H4 (0.62) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL11100803 0.85 NR1H4 (0.72) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL12869943 0.84 NR1H4 (0.70) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL2921932 0.82 NR1H4 (0.64) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL1068265 0.82 MEN1 (0.85) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL11330304 0.81 NR1H4 (0.67) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL6718058 0.80 NR1H4 (0.65) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL1147726 0.80 NR1H4 (0.61) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL438314 0.79 MEN1 (0.70) NR1H4MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765967-B2 Microcapsules with UV filter activity and process for producing them DSM IP ASSETS B.V. (NE) 2014-07-01 US disclosed
US-8765967-B2 Microcapsules with UV filter activity and process for producing them DSM IP ASSETS B.V. (NE) 2014-07-01 US disclosed
EP-1885769-B1 NOVEL POLYSILOXANE SUNSCREENS DSM IP ASSETS BV (NL) 2013-08-28 EP disclosed
EP-1885769-B1 NOVEL POLYSILOXANE SUNSCREENS DSM IP ASSETS BV (NL) 2013-08-28 EP disclosed
EP-1722863-B1 MICROCAPSULES WITH UV FILTER ACTIVITY AND PROCESS FOR PRODUCING THEM DSM IP ASSETS BV (NL) 2012-02-08 EP disclosed
EP-2192142-B1 Novel process DSM IP ASSETS BV (NL) 2012-02-08 EP disclosed
US-8110647-B2 Process for the preparation of an organopolysiloxane functionalized with a benzalmalonate by hydrosilylation in the presence of a hydroxy carboxylic acid or a cyclic ester thereof DSM IP ASSETS B.V. (NL) 2012-02-07 US disclosed
US-20120022265-A1 MICROCAPSULES WITH UV FILTER ACTIVITY AND PROCESS FOR PRODUCING THEM BERG-SCHULTZ KATJA (CH) 2012-01-26 US disclosed
US-20120022265-A1 MICROCAPSULES WITH UV FILTER ACTIVITY AND PROCESS FOR PRODUCING THEM BERG-SCHULTZ KATJA (CH) 2012-01-26 US disclosed
US-7906108-B2 Polysiloxane sunscreens DSM IP ASSETS B.V. (NL) 2011-03-15 US disclosed
US-20090068127-A1 Novel Polysiloxane Sunscreens DSM IP ASSETS B.V. (NL) 2009-03-12 US disclosed
US-20090068127-A1 Novel Polysiloxane Sunscreens DSM IP ASSETS B.V. (NL) 2009-03-12 US disclosed
EP-1885769-A1 NOVEL POLYSILOXANE SUNSCREENS DSMIP Assets B.V. (NL) 2008-02-13 EP disclosed
US-20070190325-A1 Microcapsules with uv filter activity and process for producing them DSM IP ASSETS B.V. (NL) 2007-08-16 US disclosed
US-20070190325-A1 Microcapsules with uv filter activity and process for producing them DSM IP ASSETS B.V. (NL) 2007-08-16 US disclosed
WO-2006128614-A1 NOVEL POLYSILOXANE SUNSCREENS DSM IP ASSETS B.V. (NL) 2006-12-07 WO disclosed
US-20060160976-A1 Sunscreens DSM IP ASSETS B.V. (NL) 2006-07-20 US disclosed
EP-1521798-A1 SUNSCREENS DSM IP Assets B.V. (NL) 2005-04-13 EP disclosed
WO-2004007592-A1 SUNSCREENS DSM IP ASSETS B.V. (NL) 2004-01-22 WO disclosed
US-6114559-A Silicone-substituted cinnamamide/malonamide/malonate compounds and photoprotective compositions comprised thereof SOCIETE L'OREAL S.A. (FR) 2000-09-05 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 (3 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-20090068127-A1 Novel Polysiloxane Sunscreens ERCC4, ERCC1, RAD54L NR1H4 4235/4885MEN1 3065/4885KMT2A 1479/4885
US-20120022265-A1 MICROCAPSULES WITH UV FILTER ACTIVITY AND PROCESS FOR PRODUCING THEM UACA, UROD, UMPS NR1H4 4464/4885MEN1 1079/4885KMT2A 4368/4885
US-20070190325-A1 Microcapsules with uv filter activity and process for producing them UACA, UROD, UMPS NR1H4 4464/4885MEN1 1079/4885KMT2A 4368/4885

“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.