SCHEMBL816016

SCHEMBL816016

C=CCCCCCCN(C)C

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
ALDH1A1 P00352 4/20 0.58
DNM1 Q05193 3/20 0.48
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 1/20 0.39
TRPA1 O75762 1/20 0.37
SIGMAR1 Q99720 2/20 0.35
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34

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
SCHEMBL3121300 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL28334887 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL3109511 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL3116213 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL3123219 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL3119072 1.00 TSHR (0.58) TSHRALDH1A1DNM1ABCC4MAPT
Bromide SCHEMBL30719251 0.97 TSHR (0.55) TSHRALDH1A1DNM1ABCC4MAPT
Hydrochloric Acid SCHEMBL27899373 0.97 TSHR (0.55) TSHRALDH1A1DNM1ABCC4MAPT
SCHEMBL2887665 0.97
SCHEMBL28011907 0.93 ALDH1A1 (0.50) TSHRALDH1A1DNM1ABCC4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3539993-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2019-09-18 EP disclosed
EP-3022233-B1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-05-01 EP disclosed
EP-2240520-B1 PRODUCTION OF PROPYLENE-BASED POLYMERS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-04-24 EP disclosed
EP-3022234-B1 SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC (US) 2018-12-26 EP disclosed
US-9938364-B2 Substituted metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-04-10 US disclosed
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-08 US disclosed
US-9834628-B2 Cyclopropyl substituted metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-12-05 US disclosed
US-20170015767-A1 Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2017-01-19 US disclosed
US-9458254-B2 Substituted metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-10-04 US disclosed
EP-1960411-B1 HALOGEN SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2016-08-31 EP disclosed
WO-2005095469-A1 CATALYST COMPOSITION AND USE THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-10-13 WO disclosed
US-20050209420-A1 Catalyst composition and use thereof EXXONMOBIL CHEMICAL PATENTS INC. 2005-09-22 US disclosed
CN-1219800-C Polar group-containing olefin copolymer, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2005-09-21 CN disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
US-20040242814-A1 COPOLYMERS OF ETHYLENE AND/OR ALPHA-OLEFINS AND VICINALLY DISUBSTITUTED OLEFINS EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-02 US disclosed
US-20040122192-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. 2004-06-24 US disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed
US-20020156207-A1 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition containing the copolymer, and uses thereof MITSUI CHEMICALS, INC. (JP) 2002-10-24 US disclosed
CN-1342715-A Polar group-containing olefin copolymer, process for producing the same, thermoplastic resin composition containing the same, and use thereof MITSUI CHEMICALS INC (JP) 2002-04-03 CN disclosed
EP-1186619-A2 Polar group-containing olefin copolymer, process for preparing the same, thermoplastic resin composition contaning the copolymer, and uses thereof Mitsui Chemicals, Inc. (JP) 2002-03-13 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 (2 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-20050209420-A1 Catalyst composition and use thereof DGAT1, DGAT2, ALOX5 TSHR 4852/4885ALDH1A1 2505/4885DNM1 45/4885
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 TSHR 4546/4885ALDH1A1 767/4885DNM1 368/4885

“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.