SCHEMBL2136195

SCHEMBL2136195

C1=CCC(CCCCC2CC=CCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 6/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 8/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
PKM P14618 1/20 0.33
CDK1 P06493 2/20 0.31
CCNB1 P14635 2/20 0.31
CCNA2 P20248 2/20 0.31
CDK2 P24941 2/20 0.31
CCNA1 P78396 2/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL11075927 0.97 MAPK1 (0.37) MAPK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL2138060 0.97 MAPK1 (0.37) MAPK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL2141114 0.95 MAPK1 (0.38) MAPK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL17580303 0.89 ALDH1A1 (0.39) MAPK1ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL3546001 0.89 SIGMAR1 (0.47) MAPK1KDM4ETDP1CYP1A2SIGMAR1
SCHEMBL1524898 0.89 CYP1A2 (0.40) MAPK1ALDH1A1KDM4EHSD17B10TDP1
SCHEMBL4199980 0.87 EPHX1 (0.39) MAPK1ALDH1A1KDM4ETDP1PKM
SCHEMBL3550474 0.87 SIGMAR1 (0.50) MAPK1KDM4ETDP1CYP1A2SIGMAR1
SCHEMBL6053256 0.87 EPHX1 (0.39) MAPK1ALDH1A1KDM4ETDP1PKM
SCHEMBL3543149 0.87 SIGMAR1 (0.50) MAPK1KDM4ETDP1CYP1A2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4435013-A2 PROCESS FOR PREPARING MULTI- OR DUAL-HEADED COMPOSITIONS USEFUL FOR CHAIN SHUTTLING Dow Global Technologies LLC (US) 2024-09-25 EP disclosed
EP-3519474-B1 PROCESS FOR PREPARING MULTI- OR DUAL-HEADED COMPOSITIONS USEFUL FOR CHAIN SHUTTLING DOW GLOBAL TECHNOLOGIES LLC (US) 2024-09-25 EP disclosed
EP-3519456-B1 CAPPED MULTI- OR DUAL-HEADED COMPOSITIONS USEFUL FOR CHAIN SHUTTLING AND PROCESS TO PREPARE THE SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2024-07-03 EP disclosed
CN-109952324-B Blocked multi-or double-headed compositions suitable for chain shuttling and methods of making the same 陶氏环球技术有限责任公司 2023-06-09 CN disclosed
US-11359038-B2 Capped multi- or dual-headed compositions useful for chain shuttling and process to prepare the same DOW GLOBAL TECHNOLOGIES LLC (US) 2022-06-14 US disclosed
US-11359035-B2 Multi- or dual-headed compositions useful for chain shuttling and process to prepare the same DOW GLOBAL TECHNOLOGIES LLC (US) 2022-06-14 US disclosed
US-20220073656-A1 MULTI- OR DUAL-HEADED COMPOSITIONS USEFUL FOR CHAIN SHUTTLING AND PROCESS TO PREPARE THE SAME DOW GLOBAL TECHNOLOGIES LLC 2022-03-10 US disclosed
EP-2450361-B1 ORGANOMETALLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF MITSUI CHEMICALS INC (JP) 2017-10-25 EP disclosed
US-8791284-B2 Organometallic compound and production method thereof MITSUI CHEMICALS, INC. (JP) 2014-07-29 US disclosed
EP-2450361-A1 ORGANOMETALLIC COMPOUNDS AND PROCESS FOR PREPARATION THEREOF Mitsui Chemicals, Inc. (JP) 2012-05-09 EP disclosed
US-20120101289-A1 ORGANOMETALLIC COMPOUND AND PRODUCTION METHOD THEREOF MITSUI CHEMICALS, INC. 2012-04-26 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 (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-20120101289-A1 ORGANOMETALLIC COMPOUND AND PRODUCTION METHOD THEREOF SLC39A11, AP2M1, AP1M1 MAPK1 1691/4885ALDH1A1 1493/4885ALOX15 365/4885

“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.