SCHEMBL2698200

SCHEMBL2698200

CCCCCCCCC1C=CC=C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 3/20 0.41
EPHX1 P07099 1/20 0.38
HTT P42858 2/20 0.36
DNM1 Q05193 6/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GBA1 P04062 3/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL2701172 1.00 TSHR (0.42) TSHRTHRBALDH1A1EPHX1HTT
SCHEMBL11598846 0.97 TSHR (0.40) TSHRTHRBALDH1A1EPHX1HTT
SCHEMBL19292785 0.95 ALDH1A1 (0.36) TSHRTHRBALDH1A1EPHX1HTT
SCHEMBL6750459 0.89 TSHR (0.47) TSHRTHRBALDH1A1EPHX1HTT
SCHEMBL6524652 0.89 TSHR (0.47) TSHRTHRBALDH1A1EPHX1HTT
SCHEMBL4367088 0.89 TSHR (0.47) TSHRTHRBALDH1A1EPHX1HTT
SCHEMBL525644 0.89
SCHEMBL20972491 0.86 CYP1A2 (0.33) TSHRTHRBLMNA
SCHEMBL4362974 0.86 TSHR (0.41) TSHRTHRBALDH1A1EPHX1HTT
SCHEMBL5547934 0.83 MEN1 (0.41) TSHRTHRBALDH1A1HTTGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105348297-A Cage-shaped cyclopentanoic dianhydride, method for production thereof, and polyimide NISSAN CHEMICAL IND LTD 2016-02-24 CN disclosed
US-8975365-B2 Cage-shaped cyclopentanoic dianhydride, method for production thereof, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-03-10 US disclosed
US-20140114027-A1 CAGE-SHAPED CYCLOPENTANOIC DIANHYDRIDE, METHOD FOR PRODUCTION THEREOF, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-04-24 US disclosed
US-8658743-B2 Cage-shaped cyclopentanoic dianhydride, method for production thereof, and polyimide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-02-25 US disclosed
US-20120108759-A1 CAGE-SHAPED CYCLOPENTANOIC DIANHYDRIDE, METHOD FOR PRODUCTION THEREOF, AND POLYIMIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-05-03 US disclosed
US-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST MITSUI CHEMICALS, INC. 2010-11-18 US disclosed
EP-2218725-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST USING THE COMPOUND AND ETHYLENE POLYMER OBTAINED BY USING THE CATALYST Mitsui Chemicals, Inc. (JP) 2010-08-18 EP disclosed
EP-0963382-B2 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXONMOBIL CHEM PATENTS INC (US) 2008-07-02 EP disclosed
US-6451938-B1 CATALYTIC COMPLEX FORMED BY ACTIVATING TRANSITION METAL COMPOUNDS COMPRISING CYCLOPENTADIENIDE ANIONS WHICH BEAR FUSED HETEROCYCLIC RINGS EXXON MOBIL CHEMICAL PATENTS INC. 2002-09-17 US disclosed
EP-0963382-B1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXONMOBIL CHEM PATENTS INC (US) 2001-11-14 EP disclosed
EP-0963382-A1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXON CHEMICAL PATENTS INC. (US) 1999-12-15 EP disclosed
WO-1998037106-A1 POLYMERIZATION CATALYST SYSTEMS COMPRISING HETEROCYCLIC FUSED CYCLOPENTADIENIDE LIGANDS EXXON CHEMICAL PATENTS INC. (US) 1998-08-27 WO 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-20120108759-A1 CAGE-SHAPED CYCLOPENTANOIC DIANHYDRIDE, METHOD FOR PRODUCTION THEREOF, AND POLYIMIDE DCUN1D4, DCUN1D1, AMD1 TSHR 3630/4885THRB 4798/4885ALDH1A1 353/4885
US-20140114027-A1 CAGE-SHAPED CYCLOPENTANOIC DIANHYDRIDE, METHOD FOR PRODUCTION THEREOF, AND POLYIMIDE DCUN1D4, DCUN1D1, AMD1 TSHR 3630/4885THRB 4798/4885ALDH1A1 353/4885
US-20100292421-A1 BRIDGED METALLOCENE COMPOUND, OLEFIN POLYMERIZATION CATALYST CONTAINING THE SAME, AND ETHYLENE POLYMER OBTAINED WITH THE CATALYST CAD, ENDOD1, CCT7 TSHR 4068/4885THRB 2758/4885ALDH1A1 979/4885

“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.