SCHEMBL3691199

SCHEMBL3691199

CCC(C)c1cccc2c1[CH]c1ccccc1-2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ ATM Q13315 1/20 0.31
▸ NISCH Q9Y2I1 1/20 0.31
▸ HTT P42858 2/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ RORC P51449 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
SCHEMBL3683426 0.82 TSHR (0.40) TSHR
SCHEMBL8678896 0.82 DPP4 (0.33) TSHRGABRA1GABRB2DPP4NR1H2
SCHEMBL617021 0.82 GABRA1 (0.40) TSHRGABRA1GABRB2DPP4NR1H2
SCHEMBL8018830 0.79 TSHR (0.47) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL2975202 0.78 ALDH1A1 (0.32) —
SCHEMBL8731749 0.75 TSHR (0.64) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL6651510 0.74 TSHR (0.42) TSHRKDM4EATMHTT
SCHEMBL2964164 0.72 TSHR (0.47) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL994607 0.72 TSHR (0.73) TSHRKDM4EL3MBTL1ATMNISCH
SCHEMBL5716540 0.71 SLC6A2 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140219911-A1 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2014-08-07 — — US claimed
WO-2013033018-A2 DIHYDROXYBIPYRIDINE COMPLEXES OF RUTHENIUM AND IRIDIUM FOR WATER OXIDATION AND HYDROGENATION DREXEL UNIVERSITY (US) 2013-03-07 — — WO claimed
EP-2752401-B1 PRODUCTION METHOD FOR 2-ALKENYLAMINE COMPOUND SHOWA DENKO KK (JP) 2018-10-10 — — EP disclosed
US-9919300-B2 1-hexene production process SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-20 — — US disclosed
EP-2484685-B1 TRANSITION METAL COMPLEX, PREPARATION METHOD FOR SAID TRANSITION METAL COMPLEX, TRIMERIZATION CATALYST, PREPARATION METHOD FOR 1-HEXENE, PREPARATION METHOD FOR ETHYLENE POLYMER, SUBSTITUTED CYCLOPENTADIENE COMPOUND, AND PREPARATION METHOD FOR SAID SUBSTITUTED CYCLOPENTADIENE COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-11-01 — — EP disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 — — US disclosed
US-9527066-B2 Dihydroxybipyridine complexes of ruthenium and iridium for water oxidation and hydrogenation THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2016-12-27 — — US disclosed
US-9440907-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-09-13 — — US disclosed
US-9346740-B2 Production method for 2-alkenylamine compound SHOWA DENKO K.K. (JP) 2016-05-24 — — US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 — — US disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 — — US disclosed
EP-1002808-A1 COPOLYMER, PROCESS FOR PRODUCING THE SAME, AND MOLDED ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-24 — — EP disclosed
US-6066704-A Transition metal complex, catalyst for olefin polymerization, and process for producing olefin polymers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-05-23 — — US disclosed
EP-0987287-A1 THERMOPLASTIC ELASTOMER COMPOSITION POWDER, POWDER MOLDING PROCESS WITH THE SAME, AND MOLDINGS Sumitomo Chemical Company, Limited (JP) 2000-03-22 — — EP disclosed
EP-0970976-A1 Copolymer, process for production thereof, and molded article thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 — — EP disclosed
EP-0970963-A2 Transition metal compound, olefin polymerization catalyst component, olefin polymerization catalyst and process for producing olefin polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 — — EP disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 — — EP disclosed
CN-1205340-A Propylene coplymer SUMITOMO CHEMICAL CO (JP) 1999-01-20 — — CN disclosed
EP-0852230-A1 TRANSITION METAL COMPLEXES, CATALYST FOR OLEFIN POLYMERIZATION, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-07-08 — — EP disclosed
EP-0842939-A1 TRANSITION METAL COMPLEX, PROCESS FOR THE PREPARATION THEREOF, POLYMERIZATION CATALYST FOR OLEFINS CONTAINING THE COMPLEX, AND PROCESS FOR PRODUCING OLEFIN POLYMERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-05-20 — — EP 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 (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-20170036200-A1 1-HEXENE PRODUCTION PROCESS AP1M1, HK1, CYC1 TSHR 1183/4885KDM4E 3584/4885L3MBTL1 2743/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 TSHR 1786/4885KDM4E 3841/4885L3MBTL1 2592/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 TSHR 3015/4885KDM4E 4436/4885L3MBTL1 3918/4885

“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.

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