SCHEMBL1893345

SCHEMBL1893345

CCCCC1CCC(OC=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
NAAA Q02083 1/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TP53 P04637 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ADH4 P08319 1/20 0.31
GAA P10253 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL4170126 0.95 CYP1A2 (0.42) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL504003 0.94 CYP1A2 (0.41) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL5862504 0.93 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL1896640 0.93 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL11290481 0.93 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL8975284 0.93 HTT (0.40) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL8735525 0.91 CYP1A2 (0.36) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL4159832 0.90 CYP1A2 (0.37) CYP1A2NAAAHTTLMNAMAPK1
SCHEMBL6278928 0.88 HPGD (0.34) CYP1A2NAAALMNAMAPTHPGD
SCHEMBL7723142 0.87 CYP1A2 (0.35) CYP1A2NAAAHTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118702646-A Novel polymerizable liquid crystal 罗利克技术有限公司 2024-09-27 CN disclosed
CN-114026078-B Novel polymerizable liquid crystal 罗利克技术有限公司 2024-06-07 CN disclosed
EP-3191088-B1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY & BEDFORD NEW COLLEGE (GB) 2020-12-16 EP disclosed
US-10301263-B2 Anticonvulsant compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2019-05-28 US disclosed
US-20170305859-A1 An Anticonvulsant Compound ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2017-10-26 US disclosed
EP-3191088-A1 AN ANTICONVULSANT COMPOUND Royal Holloway And Bedford New College (GB) 2017-07-19 EP disclosed
WO-2016038379-A1 AN ANTICONVULSANT COMPOUND ROYAL HOLLOWAY AND BEDFORD NEW COLLEGE (GB) 2016-03-17 WO disclosed
EP-2319882-B1 POLYOLEFIN RESIN COMPOSITION ADEKA CORP (JP) 2013-10-09 EP disclosed
US-8288462-B2 Polyolefin resin composition ADEKA CORPORATION (JP) 2012-10-16 US disclosed
US-20110218279-A1 POLYOLEFIN RESIN COMPOSITION ADEKA CORPORATION (JP) 2011-09-08 US disclosed
US-20050104036-A1 Composite liquid crystalline mixture PHOTINTECH INC. (CA) 2005-05-19 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP disclosed
US-20030031862-A1 Adhesive sheet for dicing NITTO DENKO CORPORATION (JP) 2003-02-13 US disclosed
EP-1270696-A2 Adhesive sheet for dicing NITTO DENKO CORPORATION (JP) 2003-01-02 EP disclosed
US-5762824-A VISUAL AIDS WITH QUINOPHTHALONE PIGMENTS WITH DIELECTRIC ANISOTROPY CHISSO CORPORATION (JP) 1998-06-09 US disclosed
US-5354502-A Very large dielectric anisotropy and small birefringence SEIKO EPSON CORPORATION (JP) 1994-10-11 US disclosed
US-5238599-A Low threshold voltage, low driving voltage SEIKO EPSON CORPORATION (JP) 1993-08-24 US disclosed
EP-0447565-A1 1,3-DIOXANE DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE SAME SEIKO EPSON CORPORATION (JP) 1991-09-25 EP disclosed
EP-0400861-A1 1,3-dioxane derivative and liquid crystal composition incorporating the same SEIKO EPSON CORPORATION (JP) 1990-12-05 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 (3 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM CYP1A2 2824/4885NAAA 4771/4885HTT 4693/4885
US-20170305859-A1 An Anticonvulsant Compound PSEN2, BACE2, APP CYP1A2 279/4885NAAA 525/4885HTT 453/4885
US-10301263-B2 Anticonvulsant compound PSEN2, BACE2, APP CYP1A2 230/4885NAAA 545/4885HTT 514/4885

“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.