SCHEMBL3240089

SCHEMBL3240089

C(=C/c1ccccc1)\CCC/C=C/c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
PAM P19021 1/20 0.52
SIGMAR1 Q99720 2/20 0.52
MAOB P27338 1/20 0.50
HTR2A P28223 3/20 0.48
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
TBXAS1 P24557 1/20 0.43
TRPA1 O75762 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
SCHEMBL3795388 0.92 SIGMAR1 (0.50) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL7939387 0.89 IDO1 (0.56) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL7568412 0.89 IDO1 (0.56) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL10430031 0.89 IDO1 (0.56) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL28776424 0.89 SIGMAR1 (0.44) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL22245646 0.89 PAM (0.48) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL97322 0.89 PAM (0.48) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL6688225 0.89 SIGMAR1 (0.49) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL9480916 0.89 SIGMAR1 (0.44) IDO1PAMSIGMAR1MAOBHTR2A
SCHEMBL1323652 0.86 IDO1 (0.50) IDO1PAMSIGMAR1MAOBHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1334111-A4 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE DELLINGER DOUGLAS J (US) 2007-01-24 EP claimed
US-7067641-B2 Phosphinoamidite carboxylates and analogs thereof in the synthesis of oligonucleotides having reduced internucleotide charge LIEVRE CORNU LLC (US) 2006-06-27 US claimed
US-20040116687-A1 oligonucleotides having reduced internucleotide charge and enhanced nuclease resistance AGILENT TECHNOLOGIES, INC. 2004-06-17 US claimed
EP-1334111-A2 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE Dellinger, Douglas J. (US) 2003-08-13 EP claimed
WO-2002032912-A2 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE DELLINGER DOUGLAS J (US) 2002-04-25 WO claimed
US-8846898-B2 Phosphinoamidite carboxylates and analogs thereof in the synthesis of oligonucleotide having reduced internucleotide charge Lieure Cornu LLC (US) 2014-09-30 US disclosed
US-20100311960-A1 Phosphinoamidite Carboxylates and Analogs Thereof in the Synthesis of Oligonucleotide Having Reduced Internucleotide Charge LIEVRE CORNU LLC (US) 2010-12-09 US disclosed
US-7745591-B2 phosphinocarboxylate and phosphonocarboxylate oligonucleotides having enhanced nuclease resistance Lievre Cornu, LLC (US) 2010-06-29 US disclosed
US-20080292993-A1 PHOTO-CATIONIC POLYMERIZABLE EPOXY RESIN COMPOSITION, LIQUID DISCHARGE HEAD, AND MANUFACTURING METHOD THEREOF CANON KABUSHIKI KAISHA (JP) 2008-11-27 US disclosed
EP-1334111-A4 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE DELLINGER DOUGLAS J (US) 2007-01-24 EP disclosed
US-20060293511-A1 phosphinocarboxylate and phosphonocarboxylate oligonucleotides having enhanced nuclease resistance LIEVRE CORNU LLC (US) 2006-12-28 US disclosed
US-7067641-B2 Phosphinoamidite carboxylates and analogs thereof in the synthesis of oligonucleotides having reduced internucleotide charge LIEVRE CORNU LLC (US) 2006-06-27 US disclosed
US-20040116687-A1 oligonucleotides having reduced internucleotide charge and enhanced nuclease resistance AGILENT TECHNOLOGIES, INC. 2004-06-17 US disclosed
EP-1334111-A2 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE Dellinger, Douglas J. (US) 2003-08-13 EP disclosed
WO-2002032912-A2 PHOSPHINOAMIDITE CARBOXYLATES AND ANALOGS THEREOF IN THE SYNTHESIS OF OLIGONUCLEOTIDES HAVING REDUCED INTERNUCLEOTIDE CHARGE DELLINGER DOUGLAS J (US) 2002-04-25 WO disclosed
EP-1144372-A1 SULPHOHYDROXAMIC ACIDS AND SULPHOHYDROXAMATES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2001-10-17 EP disclosed
EP-1144371-A1 BENZENESULPHONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042003-A1 BENZENESULFONAMIDE DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed
WO-2000042002-A1 SULPHOHYDROXAMIC ACIDS AND SULPHOHYDROXAMATES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 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 (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-20100311960-A1 Phosphinoamidite Carboxylates and Analogs Thereof in the Synthesis of Oligonucleotide Having Reduced Internucleotide Charge NSUN2, POLL, DUT IDO1 317/4885PAM 481/4885SIGMAR1 1224/4885
US-20060293511-A1 phosphinocarboxylate and phosphonocarboxylate oligonucleotides having enhanced nuclease resistance NSUN2, ADAR, POLL IDO1 1529/4885PAM 1405/4885SIGMAR1 1859/4885

“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.