SCHEMBL3039320

SCHEMBL3039320

COc1ccccc1C(c1ccccc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.58
TDO2 P48775 1/20 0.58
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CYP19A1 P11511 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL3261670 0.95 IDO1 (0.58) IDO1TDO2CA1CA2CA7
Dimethylamine SCHEMBL10775263 0.90 IDO1 (0.53) IDO1TDO2CA1CA2CA7
SCHEMBL31145921 0.86 MEN1 (0.50) IDO1TDO2CA1CA2CA7
SCHEMBL9253586 0.86 CASR (0.47) IDO1TDO2CA4L3MBTL1MEN1
SCHEMBL2066662 0.85 CA1 (0.63) IDO1TDO2CA1CA2CA7
SCHEMBL28155117 0.85 IDO1 (0.53) IDO1TDO2CA1CA2CA7
SCHEMBL4660269 0.85 CA1 (0.53) IDO1TDO2CA1CA2CA7
SCHEMBL21420998 0.84 IDO1 (0.41) IDO1TDO2CYP19A1KMT2ATSHR
SCHEMBL31409217 0.84 ALDH1A1 (0.47) IDO1TDO2CA1CA2CA7
Diethylamine SCHEMBL10775223 0.83 MEN1 (0.47) IDO1TDO2CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707014-B1 PROCESS FOR PRODUCING AROMATIC VINYL COMPOUND COPOLYMER IDEMITSU KOSAN CO (JP) 1999-02-17 EP claimed
EP-2157108-B1 OLEFIN/AROMATIC VINYL COPOLYMER, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITIONS CONTAINING THE COPOLYMER, AND STRETCHED PRODUCTS OF THE COPOLYMER IDEMITSU KOSAN CO (JP) 2013-02-20 EP disclosed
US-7704924-B2 Library of compounds comprising pyrrolobenzodiazepine moieties SPIROGEN LIMITED (GB) 2010-04-27 US disclosed
EP-2157108-A1 OLEFIN/AROMATIC VINYL COPOLYMER, PROCESS FOR PRODUCTION THEREOF, RESIN COMPOSITIONS CONTAINING THE COPOLYMER, AND STRETCHED PRODUCTS OF THE COPOLYMER Idemitsu Kosan Co., Ltd. (JP) 2010-02-24 EP disclosed
US-20100009865-A1 OLIGONUCLEOTIDE ARRAYS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-01-14 US disclosed
EP-2097433-A2 OLIGONUCLEOTIDE ARRAYS Katholieke Universiteit Leuven (BE) 2009-09-09 EP disclosed
WO-2008037036-A2 OLIGONUCLEOTIDE ARRAYS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-04-03 WO disclosed
US-7091313-B2 Synthesis of template-fixed β-hairpin loop mimetics UNIVERSITAT ZURICH (CH) 2006-08-15 US disclosed
EP-0671416-B1 Transition metal compound, polymerization catalyst comprising the same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN CO (JP) 2005-08-31 EP disclosed
US-20050181454-A1 Synthesis of template-fixed beta-hairpin loop mimetics UNIVERSITY OF ZURICH AND POLYPHOR AG 2005-08-18 US disclosed
US-5698362-A CONTAINING A TRIARYLMETHANE DERIVATIVE; HIGH RESOLUTION, EXCELLENT IN DEPTH OF FOCUS AND PATTERN PROFILE, STORAGE STABLE MITSUBISHI CHEMICAL CORPORATION (JP) 1997-12-16 US disclosed
US-5596054-A COORDINATION CATALYSTS FOR ADDITION POLYMERIZATION IDEMITSU KOSAN CO., LTD. (JP) 1997-01-21 US disclosed
EP-0729972-A1 Peptide derivatives of tetrahydronaphthalene F. HOFFMANN-LA ROCHE AG (CH) 1996-09-04 EP disclosed
EP-0707013-A1 CATALYST FOR PRODUCING STYRENE POLYMER AND PROCESS FOR PRODUCING STYRENE POLYMER USING THE SAME IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-04-17 EP disclosed
EP-0707014-A1 PROCESS FOR PRODUCING AROMATIC VINYL COMPOUND COPOLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-04-17 EP disclosed
EP-0703498-A1 Photosensitive resin composition and method for forming a photoresist pattern MITSUBISHI CHEMICAL CORPORATION (JP) 1996-03-27 EP disclosed
EP-0671416-A1 Transition metal compound, polymerization catalyst comprising the same and process for producing styrenic polymer using said polymerization catalyst IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-09-13 EP disclosed
EP-0655467-A1 Catalyst for producing aromatic vinyl compound polymer and process for producing aromatic vinyl compound polymer by using same IDEMITSU KOSAN COMPANY LIMITED (JP) 1995-05-31 EP disclosed
EP-0640618-A1 Tetrahydronaphthalene-peptide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-03-01 EP disclosed
EP-0592791-A2 Tricyclic compounds and peptide derivatives thereof F. HOFFMANN-LA ROCHE AG (CH) 1994-04-20 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-20050181454-A1 Synthesis of template-fixed beta-hairpin loop mimetics EBPL, QPCTL, SUCLG2 IDO1 4608/4885TDO2 4204/4885CA1 2407/4885

“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.