SCHEMBL3912450

SCHEMBL3912450

N=C(N(C1CCCC1)C1CCCC1)N(C1CCCC1)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PHGDH O43175 2/20 0.44
NOS2 P35228 2/20 0.35
ADH1A P07327 5/20 0.33
ADH1C P00326 3/20 0.33
ALDH1A1 P00352 1/20 0.33
ADH4 P08319 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
ADAM17 P78536 1/20 0.31
KMT2A Q03164 1/20 0.31
FDPS P14324 1/20 0.31
FAAH O00519 1/20 0.31
MGLL Q99685 1/20 0.31
S1PR1 P21453 1/20 0.31
HSD11B1 P28845 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL17710466 0.97 PHGDH (0.48) PHGDHNOS2ADH1AADH1CALDH1A1
SCHEMBL1872603 0.97 PHGDH (0.48) PHGDHNOS2ADH1AADH1CALDH1A1
SCHEMBL17710535 0.97 PHGDH (0.48) PHGDHNOS2ADH1AADH1CALDH1A1
SCHEMBL17710560 0.97 PHGDH (0.48) PHGDHNOS2ADH1AADH1CALDH1A1
SCHEMBL17710517 0.97 PHGDH (0.48) PHGDHNOS2ADH1AADH1CALDH1A1
SCHEMBL17710528 0.97 PHGDH (0.48) PHGDHNOS2ADH1AADH1CALDH1A1
SCHEMBL17710504 0.97 PHGDH (0.48) PHGDHNOS2ADH1AADH1CALDH1A1
SCHEMBL17710576 0.97 PHGDH (0.40) PHGDHNOS2ADH1AADH1CALDH1A1
SCHEMBL5764373 0.78 ADH1A (0.41) PHGDHADH1AADH1CALDH1A1MEN1
SCHEMBL3910736 0.77 NOS2 (0.43) PHGDHNOS2ADH1AADH1CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3018118-B1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2023-07-05 EP disclosed
CN-107848963-B Acid-resistant alkali-producing agent and/or radical-producing agent, and curable resin composition containing same 富士胶片和光纯药株式会社 2020-11-03 CN disclosed
EP-3327002-B1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2020-08-19 EP disclosed
US-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-01 US disclosed
US-10428014-B2 Base generator, base-reactive composition containing said base generator, and base generation method FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-01 US disclosed
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-01-03 US disclosed
EP-3098226-B1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORP (JP) 2018-12-12 EP disclosed
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2018-10-16 US disclosed
EP-3327002-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2018-05-30 EP disclosed
CN-106414461-A BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR 和光纯药工业株式会社 2017-02-15 CN disclosed
EP-3098226-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2016-11-30 EP disclosed
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
EP-3018118-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD Wako Pure Chemical Industries, Ltd. (JP) 2016-05-11 EP disclosed
US-20160122292-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD TOKYO UNIVERSITY OF SCIENCE FOUNDATION (JP) 2016-05-05 US disclosed
CN-105339340-A Base generator, base-reactive composition containing said base generator, and base generation method WAKO PURE CHEM IND LTD 2016-02-17 CN disclosed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO 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 (6 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-10428015-B2 Acid-resistant base and/or radical generator, and curable resin composition containing said base and/or radical generator REV1, RER1, CBR1 PHGDH 3402/4885NOS2 290/4885ADH1A 1243/4885
US-10100070-B2 Borate-based base generator, and base-reactive composition comprising such base generator BLM, HPRT1, BROX PHGDH 662/4885NOS2 4430/4885ADH1A 2172/4885
US-10428014-B2 Base generator, base-reactive composition containing said base generator, and base generation method HPRT1, GNG2, BLM PHGDH 1161/4885NOS2 3408/4885ADH1A 1883/4885
US-20190002403-A1 ACID-RESISTANT BASE AND/OR RADICAL GENERATOR, AND CURABLE RESIN COMPOSITION CONTAINING SAID BASE AND/OR RADICAL GENERATOR REV1, RER1, CBR1 PHGDH 3402/4885NOS2 290/4885ADH1A 1243/4885
US-20160340374-A1 BORATE-BASED BASE GENERATOR, AND BASE-REACTIVE COMPOSITION COMPRISING SUCH BASE GENERATOR ENPP3, GNG2, ENPP1 PHGDH 299/4885NOS2 3155/4885ADH1A 3787/4885
US-20160122292-A1 BASE GENERATOR, BASE-REACTIVE COMPOSITION CONTAINING SAID BASE GENERATOR, AND BASE GENERATION METHOD GNG2, EPHX2, ARHGEF1 PHGDH 1823/4885NOS2 2242/4885ADH1A 426/4885

“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.