SCHEMBL1795419

SCHEMBL1795419

[Li]c1c(C)c(C)cc(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL10319641 0.80 CYP3A4 (0.30) TSHRCYP3A4MAPK1
SCHEMBL120101 0.72 TSHR (0.39) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL10319662 0.71 RAPGEF4 (0.32) TSHRALDH1A1
Fluoride SCHEMBL28587768 0.69 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL2724509 0.69 CYP3A4 (0.44) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL10411849 0.69 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL10346431 0.69 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL814919 0.69 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1
SCHEMBL5182505 0.69 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1
Hexamethylbenzene SCHEMBL10345657 0.69 CYP3A4 (0.37) TSHRCYP3A4MAPK1ALDH1A1

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
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
CN-102666561-B Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement SUMITOMO CHEMICAL CO.,LTD. (JP) 2015-11-25 CN disclosed
US-20150105572-A1 TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-04-16 US disclosed
EP-2484685-A1 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., Ltd (JP) 2012-08-08 EP disclosed
US-20120184431-A1 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 COMPANY, LIMITED (JP) 2012-07-19 US disclosed
US-7951874-B2 Non-conjugated polymeric perarylated boranes, use thereof as organically semiconductor transmitters and/or transport materials, methods for producing same and uses thereof OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2011-05-31 US disclosed
EP-1620492-B9 NON-CONJUGATED POLYMERIC PERARYLATED BORANES, USE THEREOF AS ORGANICALLY SEMICONDUCTING TRANSMITTERS AND/OR TRANSPORT MATERIALS, METHODS FOR PRODUCING SAME AND USES THEREOF OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2009-11-04 EP disclosed
EP-1620492-B1 NON-CONJUGATED POLYMERIC PERARYLATED BORANES, USE THEREOF AS ORGANICALLY SEMICONDUCTING TRANSMITTERS AND/OR TRANSPORT MATERIALS, METHODS FOR PRODUCING SAME AND USES THEREOF OSRAM OPTO SEMICONDUCTORS GMBH (DE) 2009-03-25 EP disclosed
US-20060229431-A1 Non-conjugated polymeric perarylated boranes, use thereof as organically semiconductor transmitters and/or transport materials, methods for producing same and uses thereof OSRAM OLED GMBH (DE) 2006-10-12 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 (4 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 1183/4885CYP3A4 80/4885MAPK1 234/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 TSHR 1786/4885CYP3A4 200/4885MAPK1 1059/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 TSHR 3015/4885CYP3A4 77/4885MAPK1 842/4885
US-20120184431-A1 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 EMC1, CYC1, AP1M1 TSHR 2248/4885CYP3A4 71/4885MAPK1 826/4885

“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.