SCHEMBL93267

SCHEMBL93267

CCCCCC(C)OC=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.45
ADH1C P00326 1/20 0.45
ADH1A P07327 1/20 0.45
ADH4 P08319 1/20 0.45
ADH7 P40394 1/20 0.45
OPRM1 P35372 1/20 0.41
FAAH O00519 5/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TRPA1 O75762 1/20 0.39
DDAH1 O94760 1/20 0.39
GAPDH P04406 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 2/20 0.39
TP53 P04637 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.36
FDPS P14324 1/20 0.35
SMPD1 P17405 3/20 0.35

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
SCHEMBL13037388 1.00 ADH1B (0.45) ADH1BADH1CADH1AADH4ADH7
SCHEMBL93171 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2109688 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14093766 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2108219 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2110531 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL14093584 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2111102 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8810975 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7
SCHEMBL10383718 0.98 ADH1B (0.48) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023142725-A1 CYCLOPROPANE SKELETON MONOPHOSPHINE LIGAND AND PALLADIUM COMPLEX THEREOF AS WELL AS PREPARATION METHOD AND USE THEREOF 南开大学 2023-08-03 WO claimed
CN-115850328-A Diphosphine ligand with cyclopropane skeleton and cobalt complex thereof, preparation method and application 南开大学 2023-03-28 CN claimed
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof UNIV JINAN (CN) 2022-05-26 US claimed
CN-114249725-A Preparation method and application of 2-imine-9-aryl substituted phenanthroline and iron complex thereof 南开大学 2022-03-29 CN claimed
CN-114014878-A Novel conjugated alkenyl zinc reagent, preparation method and application thereof 南开大学 2022-02-08 CN claimed
CN-114014879-A Optically active biaryl borane adduct and preparation method and application thereof 南开大学 2022-02-08 CN claimed
CN-106518931-B Novel iridium complex of spiro phosphine-carboxylic acid and preparation method and application thereof 南开大学 2021-08-24 CN claimed
CN-112209967-A Chiral spiro monophosphine-oxazoline ligand and preparation method thereof 瑞博(杭州)医药科技有限公司 2021-01-12 CN claimed
CN-111909206-A Chiral spiro monophosphine ligand and preparation method thereof 浙江瑞博制药有限公司 2020-11-10 CN claimed
CN-111393466-A Gem disilicon compound, preparation method and application thereof 南开大学 2020-07-10 CN claimed
EP-2752419-A1 SPIROBENZYLAMINE-PHOSPHINE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2014-07-09 EP claimed
US-8450493-B2 Spiro phosphine-oxazoline, preparation method and application thereof Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2013-05-28 US claimed
US-20110118472-A1 Spiro Phosphine-Oxazoline, Preparation Method and Application thereof Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-05-19 US claimed
US-20110092732-A1 APPLICATION OF IRIDIUM COMPLEXES IN ASYMMETRIC CATALYTIC HYDROGENATION OF UNSATURATED CARBOXYLIC ACIDS Zheijiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-04-21 US claimed
EP-2275398-A1 APPLICATION OF THE IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION FOR UNSATURATED CARBOXYLIC ACID Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-01-19 EP claimed
EP-2272853-A1 SPIRO PHOSPHORUS-OXAZOLINE, SYNTHESIS AND USE THEREOF Zhejiang Jiuzhou Pharmaceutical Co., Ltd. (CN) 2011-01-12 EP claimed
EP-1680076-B1 PHARMACEUTICAL AND COSMETIC FORMULATIONS FOR TREATING FINGERNAILS BIOEQUAL AG (CH) 2008-07-02 EP claimed
EP-0599906-B1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE BASF AG (DE) 1997-01-15 EP claimed
EP-0599906-A1 HERBICIDES CONTAINING 3-AMINOBENZO B]THIOPHENES AS AN ANTIDOTE. BASF AG (DE) 1994-06-08 EP claimed
WO-1993004057-A2 HERBICIDES CONTAINING 3-AMINOBENZO[B]THIOPHENES AS AN ANTIDOTE BASF AKTIENGESELLSCHAFT (DE) 1993-03-04 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 (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-20110092732-A1 APPLICATION OF IRIDIUM COMPLEXES IN ASYMMETRIC CATALYTIC HYDROGENATION OF UNSATURATED CARBOXYLIC ACIDS HDHD5, ELOVL5, FASN ADH1B 85/4885ADH1C 152/4885ADH1A 70/4885
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof FHIT, BCAT1, BCAT2 ADH1B 393/4885ADH1C 324/4885ADH1A 158/4885
US-20110118472-A1 Spiro Phosphine-Oxazoline, Preparation Method and Application thereof ADH1A, ADH1C, ALDH7A1 ADH1B 94/4885ADH1C 2/4885ADH1A 1/4885

“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.