SCHEMBL2059633

SCHEMBL2059633

C1CCCC(PC2CCCCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.30
CES1 P23141 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
SCHEMBL5389964 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5381828 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5404477 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5389662 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5393504 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5385520 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5392562 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5393737 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5384905 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1
SCHEMBL5402000 1.00 ALDH1A1 (0.33) ALDH1A1HSD17B10CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3269724-B1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP disclosed
EP-3118205-B1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP disclosed
US-10363551-B2 Mononuclear iron complex and organic synthesis reaction using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2019-07-30 US disclosed
EP-2963047-B1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2018-11-14 EP disclosed
EP-2963046-B1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2018-10-17 EP disclosed
US-20180243732-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-08-30 US disclosed
US-9884316-B2 Mononuclear ruthenium complex and organic synthesis reaction using same KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2018-02-06 US disclosed
EP-3269724-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME Kyushu University National University Corporation (JP) 2018-01-17 EP disclosed
US-9782762-B2 Substituted mononuclear ruthenium complexes for catalysis of synthetic organic reactions KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-10-10 US disclosed
US-20170056872-A1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2017-03-02 US disclosed
US-20160023197-A1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-28 US disclosed
US-20160023196-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-01-28 US disclosed
EP-2963046-A1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME Kyushu University, National University Corporation (JP) 2016-01-06 EP disclosed
EP-2963047-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME Kyushu University, National University Corporation (JP) 2016-01-06 EP disclosed
US-8461366-B2 Sulfonated organophosphine compounds and use thereof in hydroformylation processes DOW GLOBAL TECHNOLOGIES LLC (US) 2013-06-11 US disclosed
US-20110054204-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE THEREOF IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2011-03-03 US disclosed
EP-2231683-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE THEREOF IN HYDROFORMYLATION PROCESSES Dow Global Technologies Inc. (US) 2010-09-29 EP disclosed
WO-2009091670-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE THEREOF IN HYDROFORMYLATION PROCESSES DOW GLOBAL TECHNOLOGIES INC. (US) 2009-07-23 WO disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 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 (7 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-20180243732-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME TFRC, IDO1, H1-0 ALDH1A1 2768/4885HSD17B10 3383/4885CES2 3466/4885
US-20160023196-A1 MONONUCLEAR IRON COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME HNRNPL, ACSL3, RBCK1 ALDH1A1 1932/4885HSD17B10 2342/4885CES2 2239/4885
US-20160023197-A1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME MRPL21, HNRNPL, RRS1 ALDH1A1 2778/4885HSD17B10 3618/4885CES2 1671/4885
US-20110054204-A1 SULFONATED ORGANOPHOSPHINE COMPOUNDS AND USE THEREOF IN HYDROFORMYLATION PROCESSES ALK, OSGEP, IP6K3 ALDH1A1 1356/4885HSD17B10 2670/4885CES2 3319/4885
US-10363551-B2 Mononuclear iron complex and organic synthesis reaction using same TFRC, IDO1, H1-0 ALDH1A1 2768/4885HSD17B10 3383/4885CES2 3466/4885
US-20170056872-A1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME AOC1, OXGR1, PDXK ALDH1A1 2345/4885HSD17B10 2200/4885CES2 3195/4885
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 ALDH1A1 4248/4885HSD17B10 3454/4885CES2 2758/4885

“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.