SCHEMBL799428

SCHEMBL799428

C=C(C)C(=O)NCC(C)CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.37
FAAH O00519 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32
NAMPT P43490 2/20 0.31
USP2 O75604 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
SCHEMBL442805 0.84 HRH4 (0.37) TGFBR1HRH4HRH3RXFP1MEN1
SCHEMBL29518826 0.83 TGFBR1 (0.46) TGFBR1RXFP1MEN1KMT2ATSHR
SCHEMBL23761385 0.81 ACE2 (0.37) TGFBR1HRH4HRH3MEN1KMT2A
SCHEMBL366427 0.80 CYP2D6 (0.52) TGFBR1RXFP1MEN1KMT2ATSHR
SCHEMBL10750333 0.80 ANPEP (0.36) TGFBR1RXFP1MEN1KMT2ATSHR
SCHEMBL491544 0.80 TGFBR1 (0.35) TGFBR1RXFP1MEN1KMT2ATSHR
SCHEMBL14931 0.79 TGFBR1 (0.37) TGFBR1RXFP1TSHRUSP2THRB
SCHEMBL566592 0.79 TGFBR1 (0.34) TGFBR1RXFP1MEN1KMT2A
SCHEMBL3734949 0.79 GAA (0.44) TGFBR1RXFP1MEN1KMT2A
SCHEMBL16097 0.78 TGFBR1 (0.39) TGFBR1RXFP1MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8672466-B2 Ink composition, ink set and image forming method FUJIFILM CORPORATION (JP) 2014-03-18 US disclosed
US-8303943-B2 Ampholytic copolymer based on quaternized nitrogen-containing monomers BASF SE (DE) 2012-11-06 US disclosed
US-20120069084-A1 INK COMPOSITION, INK SET AND IMAGE FORMING METHOD FUJIFILM CORPORATION (JP) 2012-03-22 US disclosed
US-20100068156-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2010-03-18 US disclosed
EP-2064253-B1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2009-11-18 EP disclosed
WO-2009103735-A1 COMPOSITION CONTAINING AN AMPHOLYTIC COPOLYMER ON THE BASIS OF QUATERNISED MONOMERS CONTAINING NITROGEN AND AT LEAST ONE POLYMER THAT DIFFERS FROM SAID COPOLYMER, AND USE THEREOF BASF SE (DE) 2009-08-27 WO disclosed
EP-2064253-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2009-06-03 EP disclosed
WO-2008031892-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS BASF SE (DE) 2008-03-20 WO disclosed
EP-0258999-B1 PROCESS FOR PREPARING ISOTHIAZOLONES ROHM AND HAAS COMPANY (US) 1991-05-02 EP disclosed
US-4868310-A Process for preparing isothiazolones ROHM AND HAAS COMPANY (US) 1989-09-19 US disclosed
EP-0258999-A1 Process for preparing isothiazolones ROHM AND HAAS COMPANY (US) 1988-03-09 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-20100068156-A1 AMPHOLYTIC COPOLYMER BASED ON QUATERNIZED NITROGEN-CONTAINING MONOMERS NGLY1, NAAA, NIT2 TGFBR1 3924/4885FAAH 257/4885CNR1 797/4885

“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.