SCHEMBL329374

SCHEMBL329374

CCCCn1cncc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
QPCT Q16769 14/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
LMNA P02545 1/20 0.43
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL8591844 0.94 QPCT (0.43) ALDH1A1POLBKMT2AQPCTCYP3A4
SCHEMBL1011992 0.92 TBXAS1 (0.43) ALDH1A1POLBKMT2AQPCTCYP3A4
SCHEMBL9822957 0.92 TBXAS1 (0.43) ALDH1A1POLBKMT2AQPCTCYP3A4
SCHEMBL28220941 0.92 TBXAS1 (0.43) ALDH1A1POLBKMT2AQPCTCYP3A4
SCHEMBL5657481 0.87
SCHEMBL16268073 0.82 QPCT (0.47) QPCT
SCHEMBL466488 0.82 QPCT (0.43) QPCTCYP19A1CYP11B1CYP11B2
SCHEMBL3626809 0.80 QPCT (0.44) QPCTCYP19A1CYP11B1CYP11B2
SCHEMBL3815545 0.78 QPCT (0.64) QPCT
SCHEMBL2308094 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3207013-A1 METHOD FOR SEPARATING HF FROM HF/HALOGENATED HYDROCARBON MIXTURES USING IONIC LIQUIDS Honeywell International Inc. (US) 2017-08-23 EP claimed
CN-107074541-A The method for separating HF from HF/ Halocarbon blends using ionic liquid 霍尼韦尔国际公司 2017-08-18 CN claimed
EP-3057928-A1 PROCESS FOR PRODUCING 1-CHLORO-3,3,3-TRIFLUOROPROPENE IN AN IONIC LIQUID Honeywell International Inc. (US) 2016-08-24 EP claimed
CN-105849072-A Process for the preparation of 1-chloro-3, 3, 3-trifluoropropene in ionic liquids 霍尼韦尔国际公司 2016-08-10 CN claimed
WO-2016061294-A1 METHOD FOR SEPARATING HF FROM HF/HALOGENATED HYDROCARBON MIXTURES USING IONIC LIQUIDS HONEYWELL INTERNATIONAL INC. (US) 2016-04-21 WO claimed
US-20160107892-A1 METHOD FOR SEPARATING HF FROM HF/HALOGENATED HYDROCARBON MIXTURES USING IONIC LIQUIDS HONEYWELL INTERNATIONAL INC. (US) 2016-04-21 US claimed
US-9272967-B2 Process for producing 1-chloro-3,3,3-trifluoropropene in an ionic liquid HONEYWELL INTERNATIONAL INC. (US) 2016-03-01 US claimed
EP-2356182-B1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2015-05-06 EP claimed
WO-2015057476-A1 PROCESS FOR PRODUCING 1-CHLORO-3,3,3-TRIFLUOROPROPENE IN AN IONIC LIQUID HONEYWELL INTERNATIONAL INC. (US) 2015-04-23 WO claimed
US-20150105596-A1 PROCESS FOR PRODUCING 1-CHLORO-3,3,3-TRIFLUOROPROPENE IN AN IONIC LIQUID SOLSTICE ADVANCED MATERIALS US, INC. 2015-04-16 US claimed
EP-2356182-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2011-08-17 EP claimed
WO-2010055050-A1 RADIATION CURABLE COATING MATERIALS BASF SE (DE) 2010-05-20 WO claimed
CN-100430356-C Method for producing haloalkanes from alcohols BASF AG (DE) 2008-11-05 CN claimed
US-20080171440-A1 Pre-polishing treatment solution for interconnect substrate, polishing method, and method and apparatus for manufacturing interconnect substrate EBARA CORPORATION (JP) 2008-07-17 US claimed
WO-2008058885-A2 RADIATION-HARDENABLE COATING MASSES BASF SE (DE) 2008-05-22 WO claimed
EP-1663921-B1 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AG (DE) 2007-05-02 EP claimed
US-20070055084-A1 Method for producing haloalkanes from alcohols BASF AKTIENGESELLSCHAFT (DE) 2007-03-08 US claimed
CN-1849281-A Method for producing haloalkanes from alcohols BASF AG (DE) 2006-10-18 CN claimed
EP-1663921-A2 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2006-06-07 EP claimed
WO-2005026089-A2 METHOD FOR PRODUCING HALOALKANES FROM ALCOHOLS BASF AKTIENGESELLSCHAFT (DE) 2005-03-24 WO claimed

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-20070055084-A1 Method for producing haloalkanes from alcohols ADH1C, HDHD5, ADH5 ALDH1A1 493/4885POLB 505/4885KMT2A 735/4885

“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.