SCHEMBL2576204

SCHEMBL2576204

CCCCC[C@H]1CC[C@H](C(=O)Cl)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.54
KMT2A Q03164 3/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.53
CYP1A2 P05177 3/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
CCR2 P41597 1/20 0.45
MAPT P10636 2/20 0.42
ALOX5 P09917 1/20 0.41
IDH1 O75874 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3319559 1.00 PKM (0.54) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL5478099 0.98 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL9347786 0.98 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL9406236 0.98 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL10393841 0.98 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL9406241 0.98 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL10450410 0.98 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL9347776 0.98 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL5478101 0.98 HTT (0.55) PKMKMT2AHTTMEN1CYP1A2
SCHEMBL9347924 0.95 PKM (0.50) PKMKMT2AHTTMEN1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2275868-A None JP disclosed
US-9273247-B2 Substituted amino alcohols as chiral dopants Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-03-01 US disclosed
US-20140228591-A1 SUBSTITUTED AMINO ALCOHOLS AS CHIRAL DOPANTS Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2014-08-14 US disclosed
US-8497261-B2 3-aminocaprolactam compounds for treating inflammatory disorders CAMBRIDGE ENTERPRISE LIMITED (GB) 2013-07-30 US disclosed
US-8048335-B2 Cholesteric liquid crystal composition CHISSO CORPORATION (JP) 2011-11-01 US disclosed
EP-1781299-B1 ANTI-INFLAMMATORY AGENTS CAMBRIDGE ENTPR LTD (GB) 2010-12-22 EP disclosed
US-20100292213-A1 Anti-Inflammatory Agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-11-18 US disclosed
CN-101029015-B 3,4-difluaryl mercaptan ester liquid crystal compound XI AN MODERN CHEMISTRY INST 2010-10-06 CN disclosed
US-20100086506-A1 CHOLESTERIC LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 2010-04-08 US disclosed
US-7691845-B2 Anti-inflammatory agents CAMBRIDGE ENTERPRISE LIMITED (GB) 2010-04-06 US disclosed
US-4642199-A Novel liquid crystal compounds and liquid crystal compositions containing same CHISSO CORPORATION (JP) 1987-02-10 US disclosed
US-4637897-A Nematic compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1987-01-20 US disclosed
US-4632515-A Heterocyclically substituted ethanes and their use in liquid crystal materials and devices THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1986-12-30 US disclosed
EP-0164721-A2 Novel liquid crystal compound and liquid crystal composition containing same Chisso Corporation (JP) 1985-12-18 EP disclosed
US-4552684-A ANTHRAOXAZOLE OR ANTHRATHIAZOLE DYES MITSUI TOATSU CHEMICALS, INC. (JP) 1985-11-12 US disclosed
EP-0152697-A1 Heterocyclically substituted ethanes and their use in liquid crystal materials and devices The Secretary of State for Defence in Her Britannic Majesty's Government of the United Kingdom of Great Britain and (GB) 1985-08-28 EP disclosed
US-4518226-A TEMPERATURE, LIQUID CRYSTALS KABUSHIKI KAISHA SUWA SEIKOSHA (JP) 1985-05-21 US disclosed
US-4452718-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1984-06-05 US disclosed
US-4419262-A Pyridazines HOFFMANN-LA ROCHE INC. (US) 1983-12-06 US disclosed
US-4113647-A ELECTRO-OPTIC DISPLAY DEVICE THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1978-09-12 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 (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-20100086506-A1 CHOLESTERIC LIQUID CRYSTAL COMPOSITION CYP46A1, NR1H3, NR1H4 PKM 4055/4885KMT2A 3595/4885HTT 3618/4885
US-20100292213-A1 Anti-Inflammatory Agents TNF, IL1RN, IL1R1 PKM 2854/4885KMT2A 4579/4885HTT 3616/4885

“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.