SCHEMBL93232

SCHEMBL93232

CCCCC(C)(C)OC=O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
FDPS P14324 11/20 0.35
TSHR P16473 2/20 0.35
GGPS1 O95749 7/20 0.31
ADH1B P00325 2/20 0.31
ADH1C P00326 2/20 0.31
ADH1A P07327 2/20 0.31
ADH7 P40394 2/20 0.31
EPHX1 P07099 1/20 0.30
ADH4 P08319 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
SCHEMBL11346376 0.93 TDP1 (0.40) TDP1FDPSTSHRGGPS1
SCHEMBL2110793 0.91 GGPS1 (0.42) TDP1FDPSTSHRGGPS1ADH1B
SCHEMBL2109068 0.91 GGPS1 (0.42) TDP1FDPSTSHRGGPS1ADH1B
SCHEMBL93146 0.91 GGPS1 (0.42) TDP1FDPSTSHRGGPS1ADH1B
SCHEMBL2107760 0.91 GGPS1 (0.42) TDP1FDPSTSHRGGPS1ADH1B
SCHEMBL93198 0.91 GGPS1 (0.42) TDP1FDPSTSHRGGPS1ADH1B
SCHEMBL2110488 0.91 GGPS1 (0.42) TDP1FDPSTSHRGGPS1ADH1B
SCHEMBL2111013 0.91 GGPS1 (0.42) TDP1FDPSTSHRGGPS1ADH1B
SCHEMBL93254 0.85
SCHEMBL3040498 0.77 TDP1 (0.39) TDP1FDPSTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114014878-B Conjugated alkenyl zinc reagent, preparation method and application thereof 南开大学 2024-06-07 CN claimed
CN-116535439-B Cyclopropane skeleton monophosphine ligand and palladium complex thereof, and preparation method and application thereof 南开大学 2024-05-28 CN claimed
CN-116535439-A Cyclopropane skeleton monophosphine ligand and palladium complex thereof, and preparation method and application thereof 南开大学 2023-08-04 CN claimed
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-116003462-A Silicon-based substituted chiral amine and preparation method and application thereof 南开大学 2023-04-25 CN 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
EP-2275398-B1 APPLICATION OF AN IRIDIUM COMPLEX IN ASYMMETRIC CATALYTIC HYDROGENATION OF AN UNSATURATED CARBOXYLIC ACID ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2016-05-04 EP claimed
US-9108995-B2 Spirobenzylamine-phosphine, preparation method therefor and use thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2015-08-18 US claimed
EP-2272853-B1 SPIRO PHOSPHORUS-OXAZOLINE, SYNTHESIS AND USE THEREOF ZHEJIANG JIUZHOU PHARM CO LTD (CN) 2014-08-27 EP claimed
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof ZHEJIANG JIUZHOU PHARMACEUTICAL CO., LTD. (CN) 2014-07-10 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 TDP1 4705/4885FDPS 738/4885TSHR 3012/4885
US-20220162219-A1 Chiral Bisamino-Ether Compounds, And Method of Preparation and Use Thereof FHIT, BCAT1, BCAT2 TDP1 4082/4885FDPS 80/4885TSHR 2785/4885
US-20140194638-A1 Spirobenzylamine-Phosphine, Preparation Method Therefor And Use Thereof FAR1, WEE1, ALDH7A1 TDP1 3172/4885FDPS 78/4885TSHR 1632/4885
US-20110118472-A1 Spiro Phosphine-Oxazoline, Preparation Method and Application thereof ADH1A, ADH1C, ALDH7A1 TDP1 2841/4885FDPS 2290/4885TSHR 2502/4885

“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.