SCHEMBL397389

SCHEMBL397389

C=C(Cc1ccc(Br)cc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45
SRD5A2 P31213 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.44
EGFR P00533 2/20 0.44
ERBB2 P04626 2/20 0.44
HTT P42858 1/20 0.42
TGM2 P21980 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 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
SCHEMBL4805934 0.94 HAO1 (0.46) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL3426193 0.89 CA2 (0.46) LMNAGAAALDH1A1HPGDHTT
SCHEMBL2732935 0.83 LMNA (0.54) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL30345062 0.82 MEN1 (0.47) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL83884 0.81 CA2 (0.61) NPC1LMNARAB9A
SCHEMBL41907 0.80 CES1 (0.58) MEN1KMT2AL3MBTL1MAPTLMNA
SCHEMBL1920376 0.80 FFAR1 (0.50) MEN1KMT2A
SCHEMBL6473235 0.79 TPMT (0.41) LMNAGAAHTT
SCHEMBL6047068 0.79 THRB (0.33) MAPTNPC1LMNAGAAALOX12
SCHEMBL6442701 0.79 ALDH1A1 (0.52) MEN1KMT2AMAPTLMNAALDH1A1

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-4306780-A Highly refractive copolymer of an ethylinically unsaturated alkylene oxide of bis-phenol-A and an ethylinically unsaturated aromatic compound for lens and a lens prepared therefrom HOYA LENS CORPORATION (JP) 1981-12-22 US claimed
EP-1952184-B1 PHOTOCHROMIC MULTIFOCAL OPTICAL ARTICLE TRANSITIONS OPTICAL INC (US) 2021-08-11 EP disclosed
US-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2018-11-20 US disclosed
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS (FR) 2014-06-12 US disclosed
US-8703747-B2 Aminophosphinic derivatives that can be used in the treatment of pain PHARMALEADS (FR) 2014-04-22 US disclosed
US-8101665-B2 Process for synthesis of tritiated and deuterated thiorphan and acetorphan ROCHE PALO ALTO LLC (US) 2012-01-24 US disclosed
US-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN ROCHE PALO ALTO LLC 2011-12-29 US disclosed
US-20110124601-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN PHARMALEADS 2011-05-26 US disclosed
EP-1323742-B1 Radiation sensitive refractive index changing composition and refractive index changing method JSR CORP (JP) 2011-02-16 EP disclosed
WO-2009077386-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
US-20030087163-A1 Volume type hologram recording photosensitive composition, volume type hologram recording medium using the same and method of producing volume type hologram DAI NIPPON PRINTING CO., LTD. (JP) 2003-05-08 US disclosed
EP-1073664-B1 (ALPHA-AMINOPHOSPHINO) PEPTIDESDERIVATIVE AND COMPOSITIONS CONTAINING SAME INST NAT SANTE RECH MED (FR) 2002-10-23 EP disclosed
EP-1009750-B1 NOVEL (ALPHA-AMINOPHOSPHINO) PEPTIDE DERIVATIVES, METHOD FOR MAKING SAME AND THERAPEUTIC APPLICATIONS THEREOF INST NAT SANTE RECH MED (FR) 2002-07-31 EP disclosed
EP-1073664-A1 (ALPHA-AMINOPHOSPHINO) PEPTIDESDERIVATIVE AND COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2001-02-07 EP disclosed
EP-1009750-A1 NOVEL (ALPHA-AMINOPHOSPHINO) PEPTIDE DERIVATIVES, METHOD FOR MAKING SAME AND THERAPEUTIC APPLICATIONS THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2000-06-21 EP disclosed
WO-1999054336-A1 (ALPHA-AMINOPHOSPHINO) PEPTIDESDERIVATIVE AND COMPOSITIONS CONTAINING SAME INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1999-10-28 WO disclosed
EP-0888341-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1999-01-07 EP disclosed
WO-1998018803-A1 NOVEL (ALPHA-AMINOPHOSPHINO) PEPTIDE DERIVATIVES, METHOD FOR MAKING SAME AND THERAPEUTIC APPLICATIONS THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1998-05-07 WO disclosed
WO-1997032874-A1 NOVEL SULPHUR DERIVATIVES COMPRISING AN AMIDE BOND, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH DERIVATIVES HOECHST MARION ROUSSEL (FR) 1997-09-12 WO disclosed
US-4329495-A USEFUL AS ANALGESICS OR ANTICONVULSANTS, CHIRAL 2-(2-BENZYL-3-MERCAPTOPROPIONYLAMINO)-THIOBUTYRIC ACIDS, OR ALKANOL DERIVATIVES PFIZER INC. (US) 1982-05-11 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 (4 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-20110124601-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 MEN1 4421/4885KMT2A 3257/4885L3MBTL1 3042/4885
US-20110319656-A1 PROCESS FOR SYNTHESIS OF TRITIATED AND DEUTERATED THIORPHAN AND ACETORPHAN NAT1, ZRANB2, TXN MEN1 941/4885KMT2A 1160/4885L3MBTL1 1210/4885
US-10131681-B2 Aminophosphinic derivatives that can be used in the treatment of pain OPRM1, HRH3, HRH4 MEN1 4339/4885KMT2A 3249/4885L3MBTL1 3112/4885
US-20140161839-A1 AMINOPHOSPHINIC DERIVATIVES THAT CAN BE USED IN THE TREATMENT OF PAIN OPRM1, HRH3, HRH4 MEN1 4339/4885KMT2A 3249/4885L3MBTL1 3112/4885

“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.