SCHEMBL3607496

SCHEMBL3607496

OCCCOc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 9/20 0.68
HTR1D P28221 2/20 0.68
KCNA3 P22001 1/20 0.66
CNR2 P34972 3/20 0.63
CNR1 P21554 2/20 0.63
SLC6A4 P31645 2/20 0.62
HRH1 P35367 1/20 0.62
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2C19 P33261 1/20 0.57
NR2E1 Q9Y466 1/20 0.57
HPGD P15428 1/20 0.56
TDP1 Q9NUW8 1/20 0.56

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
Hydrochloric Acid SCHEMBL28443504 0.98 HTR1B (0.66) HTR1BHTR1DKCNA3CNR2CNR1
SCHEMBL6272756 0.94 KCNA3 (0.69) HTR1BHTR1DKCNA3CNR2CNR1
SCHEMBL1007097 0.93 KCNA3 (0.67) HTR1BHTR1DKCNA3CNR2CNR1
SCHEMBL8955863 0.93 KCNA3 (0.67) HTR1BHTR1DKCNA3CNR2CNR1
SCHEMBL4647042 0.93 KCNA3 (0.67) HTR1BHTR1DKCNA3CNR2CNR1
SCHEMBL6438840 0.93 KCNA3 (0.67) HTR1BHTR1DKCNA3CNR2CNR1
SCHEMBL8544058 0.93 KCNA3 (0.67) HTR1BHTR1DKCNA3CNR2CNR1
SCHEMBL1023529 0.90 HTR1B (0.70) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL5161287 0.89 HTR1B (0.68) HTR1BHTR1DKCNA3SLC6A4HRH1
SCHEMBL5161278 0.89 HTR1B (0.68) HTR1BHTR1DKCNA3SLC6A4HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633549-B2 Ink, ink accommodating container, image forming method, and image forming device RICOH COMPANY, LTD. (JP) 2020-04-28 US disclosed
US-20190264050-A1 INK, INK ACCOMMODATING CONTAINER, IMAGE FORMING METHOD, AND IMAGE FORMING DEVICE RICOH COMPANY, LTD. (JP) 2019-08-29 US disclosed
CN-103608337-B 18F-labeled precursor of PET radioactive medical supplies and preparation method thereof FUTURECHEM株式会社 2016-07-06 CN disclosed
CN-105732309-A Chiral preparation method of dapoxetine hydrochloride key intermediate 山东省药学科学院 2016-07-06 CN disclosed
US-20150344733-A1 RESIN COMPOSITION, PREPREG, LAMINATE, METAL FOIL-CLAD LAMINATE, AND PRINTED-WIRING BOARD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-12-03 US disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO disclosed
EP-0126397-B1 NAPHTHALENE DERIVATIVE, POLYMERIZABLE COMPOSITION CONTAINING THE SAME AND POLYMER OBTAINABLE BY POLYMERIZING THIS COMPOSITION SHOWA DENKO KABUSHIKI KAISHA (JP) 1989-09-06 EP disclosed
EP-0102034-B1 SPIRO(2H-1,4-BENZODIOXEPIN-3(5H)4'-PIPERIDINE AND 3'-PYRROLIDINO) COMPOUNDS, A PROCESS FOR PREPARING THE SAME AND THEIR USE AS MEDICAMENTS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-04-20 EP disclosed
US-4521537-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-06-04 US disclosed
EP-0126397-A2 Naphthalene derivative, polymerizable composition containing the same and polymer obtainable by polymerizing this composition SHOWA DENKO KABUSHIKI KAISHA (JP) 1984-11-28 EP disclosed
EP-0102034-A1 Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-03-07 EP disclosed
US-4376125-A Aminobenzlpropranolol and pharmaceutical preparation thereof UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1983-03-08 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 (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-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 HTR1B 3401/4885HTR1D 3783/4885KCNA3 4401/4885

“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.