SCHEMBL558967

SCHEMBL558967

CCc1ccc(C[Mg]Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.48
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLAU P00749 1/20 0.41
CYP2A6 P11509 2/20 0.41
LPL P06858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
MGLL Q99685 2/20 0.40
ALDH1A1 P00352 1/20 0.39
CA2 P00918 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.37
TRPA1 O75762 1/20 0.36
PLK1 P53350 1/20 0.35

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
SCHEMBL5953553 0.80 LPL (0.45) TAAR1L3MBTL1LPLLIPGMGLL
SCHEMBL560202 0.79 CYP1A2 (0.48) TAAR1TP53TSHRTDP1CYP2A6
SCHEMBL1445944 0.77 HTR2A (0.50) TP53LPLLIPGMGLLALDH1A1
SCHEMBL36295 0.76 TP53 (0.67) TAAR1TP53TSHRMAPK1ATM
SCHEMBL1141849 0.76 TAAR1 (0.50) TAAR1CYP2A6ALDH1A1LMNAIDO1
SCHEMBL5954137 0.75 BCHE (0.47) TP53TSHRPOLBLMNACYP1A2
SCHEMBL10317372 0.75 HTR2A (0.59) TP53LPLLIPGMGLLALDH1A1
SCHEMBL7851860 0.74 TAAR1 (0.48) TAAR1TP53TSHRMAPK1ATM
SCHEMBL467321 0.74 TAAR1 (0.48) TAAR1LMNAIDO1
SCHEMBL10317547 0.73 CYP2C9 (0.42) TSHRMAPK1ATMTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114437294-B Surface active polymer, preparation method thereof and application of surface active polymer as polymer oil displacement agent 中国石油化工股份有限公司 2023-04-11 CN disclosed
CN-114437294-A Surface active polymer, preparation method thereof and application of surface active polymer as polymer oil displacement agent 中国石油化工股份有限公司 2022-05-06 CN 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-9645128-B2 Substituted imidazo[1,2-A]pyrazines for measuring a transcription activity JNC CORPORATION (JP) 2017-05-09 US disclosed
US-20170036200-A1 1-HEXENE PRODUCTION PROCESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-02-09 US disclosed
US-20150344936-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2015-12-03 US disclosed
US-9151739-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2015-10-06 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
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF JNC CORP (JP) 2014-10-02 US disclosed
US-8765921-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2014-07-01 US disclosed
US-20140024058-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2014-01-23 US disclosed
US-8546568-B2 Coelenterazine analogs and manufacturing method thereof JNC CORPORATION (JP) 2013-10-01 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-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF TOKYO INSTITUTE OF TECHNOLOGY (JP) 2012-02-09 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 (6 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 TAAR1 724/4885TP53 4506/4885TSHR 1183/4885
US-20140296521-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI TAAR1 2802/4885TP53 4604/4885TSHR 2073/4885
US-20150105572-A1 TRANSITION METAL COMPLEX AP1M1, AP3M1, EMC1 TAAR1 1449/4885TP53 3995/4885TSHR 1786/4885
US-20150105237-A1 CATALYTIC COMPONENT FOR TRIMERIZATION AND TRIMERIZATION CATALYST AP1M1, AMY1A, AP3M1 TAAR1 1797/4885TP53 4366/4885TSHR 3015/4885
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 TAAR1 1330/4885TP53 4565/4885TSHR 2248/4885
US-20120035070-A1 COELENTERAZINE ANALOGS AND MANUFACTURING METHOD THEREOF GLB1, CEL, SI TAAR1 2802/4885TP53 4604/4885TSHR 2073/4885

“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.