SCHEMBL1895593

SCHEMBL1895593

CCCCC(C)[n+]1cc[nH]c1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
Bromide SCHEMBL16163172 0.98 DNM1 (0.31)
SCHEMBL3835150 0.94 OPRM1 (0.35)
SCHEMBL16163417 0.93
SCHEMBL1245582 0.92 LMNA (0.36)
SCHEMBL1246523 0.92 LMNA (0.36)
SCHEMBL14973610 0.92 LMNA (0.36)
Iodide SCHEMBL1475838 0.92 OPRM1 (0.34)
SCHEMBL1246152 0.92 LMNA (0.36)
SCHEMBL1246124 0.92 LMNA (0.36)
Bromide SCHEMBL556685 0.91 LMNA (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110171827-A The spherical porous charcoal of N doping, preparation method and its application 国家能源投资集团有限责任公司 2019-08-27 CN claimed
US-10889544-B2 Ionic liquids comprising heteraromatic anions UNIVERSITY OF NOTRE DAME DU LAC (US) 2021-01-12 US disclosed
CN-110171827-A The spherical porous charcoal of N doping, preparation method and its application 国家能源投资集团有限责任公司 2019-08-27 CN disclosed
US-10385251-B2 Compounds, complexes, compositions, methods and systems for heating and cooling UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-08-20 US disclosed
US-10259788-B2 Ionic liquids comprising heteraromatic anions UNIVERSITY OF NOTRE DAME DU LAC (US) 2019-04-16 US disclosed
US-20190031608-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS UNITED STATES DEPARTMENT OF ENERGY 2019-01-31 US disclosed
US-20190032967-A1 IONIC FLUID / CO2 COFLUID REFRIGERATION SYSTEM Ionic Research Technologies, LLC 2019-01-31 US disclosed
US-20180179157-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS UNITED STATES DEPARTMENT OF ENERGY 2018-06-28 US disclosed
US-9951008-B2 Ionic liquids comprising heteraromatic anions UNIVERSITY OF NOTRE DAME DU LAC (US) 2018-04-24 US disclosed
US-20160237333-A1 COMPOUNDS, COMPLEXES, COMPOSITIONS, METHODS AND SYSTEMS FOR HEATING AND COOLING U.S. DEPARTMENT OF ENERGY 2016-08-18 US disclosed
CN-102365816-B Electrode film for polymer actuator element, and polymer actuator element comprising same DAIKIN IND LTD 2015-06-24 CN disclosed
US-20120222557-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS UNIVERSITY OF NOTRE DAME DU LAC (US) 2012-09-06 US disclosed
WO-2011056895-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS UNIVERSITY OF NOTRE DAME DU LAC (US) 2011-05-12 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 (5 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-10889544-B2 Ionic liquids comprising heteraromatic anions PIP4K2C, PIP4K2A, PIP4K2B ALDH1A1 4230/4885
US-10259788-B2 Ionic liquids comprising heteraromatic anions PIP4K2C, PIP4K2A, PIP4K2B ALDH1A1 4230/4885
US-20190031608-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS PIP4K2C, PIP4K2A, PIP4K2B ALDH1A1 4230/4885
US-20120222557-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS PIP4K2C, PIP4K2A, PIP4K2B ALDH1A1 4230/4885
US-20180179157-A1 IONIC LIQUIDS COMPRISING HETERAROMATIC ANIONS PIP4K2C, PIP4K2A, PIP4K2B ALDH1A1 4230/4885

“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.