SCHEMBL16393552

SCHEMBL16393552

BrC1=Cc2cccc(-c3ccccc3)c2C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MAPK1 P28482 1/20 0.42
PRCP P42785 1/20 0.38
PARP10 Q53GL7 1/20 0.38
PARP11 Q9NR21 1/20 0.38
ANPEP P15144 4/20 0.36
IL1RN P18510 2/20 0.36
ERAP2 Q6P179 2/20 0.36
ERAP1 Q9NZ08 2/20 0.36
HSD17B10 Q99714 2/20 0.33
HTR1A P08908 2/20 0.33
HTR7 P34969 2/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
CYP2A6 P11509 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
SCHEMBL6926322 0.79 PRCP (0.42) ALDH1A1MAPK1PRCPPARP10PARP11
SCHEMBL3154256 0.78 PDCD1 (0.38) ALDH1A1PRCPPARP10PARP11ANPEP
SCHEMBL16393430 0.77 HTR7 (0.38) ALDH1A1MAPK1HSD17B10HTR1AHTR7
SCHEMBL7616904 0.74 PRCP (0.35) PRCPPARP10PARP11ANPEPIL1RN
SCHEMBL6662149 0.74 HTR1A (0.36) PRCPPARP10PARP11ANPEPIL1RN
SCHEMBL16393922 0.71 PDCD1 (0.36) ALDH1A1PRCPPARP10PARP11HSD17B10
SCHEMBL6230549 0.71 HTR1A (0.37) PRCPPARP10PARP11HTR1AHTR7
SCHEMBL2048990 0.71 PRCP (0.47) ALDH1A1MAPK1PRCPPARP10PARP11
SCHEMBL6056117 0.70 ALDH1A1 (0.42) ALDH1A1MAPK1PRCPANPEPIL1RN
SCHEMBL16394019 0.68 ALDH1A1 (0.39) ALDH1A1MAPK1PRCPANPEPIL1RN

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 16 patents. 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-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-3022233-B1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC (US) 2019-05-01 EP disclosed
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-08 US disclosed
US-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2018-03-08 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-9834628-B2 Cyclopropyl substituted metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-12-05 US disclosed
US-9834628-B2 Cyclopropyl substituted metallocene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-12-05 US disclosed
EP-3022233-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2016-05-25 EP disclosed
US-20150025207-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2015-01-22 US disclosed
WO-2015009473-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-01-22 WO disclosed
WO-2015009473-A1 CYCLOPROPYL SUBSTITUTED METALLOCENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-01-22 WO disclosed
US-20150025207-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2015-01-22 US disclosed
US-20150025207-A1 Cyclopropyl Substituted Metallocene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2015-01-22 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 (1 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-20180066083-A1 Cyclopropyl Substituted Metallocene Catalysts CPNE4, TIMM13, NECTIN4 ALDH1A1 767/4885MAPK1 4406/4885PRCP 1768/4885

“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.