SCHEMBL16669130

SCHEMBL16669130

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](C)(C)(=[SiH2])C1=C(C)C(C)=C(C)C1C.Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.32

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
CA9 Q16790 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
CYP2D6 P10635 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
MAPK1 P28482 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
Methyl Alcohol SCHEMBL16669124 0.88
Iodide SCHEMBL16668821 0.87
Hydrochloric Acid SCHEMBL16668837 0.87
Bromide SCHEMBL16669174 0.87
Tert-Butanol SCHEMBL16669023 0.85
Dimethylamine SCHEMBL16669018 0.85
Diethylamine SCHEMBL16669132 0.81 ADRB2 (0.33)
SCHEMBL16669246 0.81
Hydrochloric Acid SCHEMBL16669275 0.77
SCHEMBL16669128 0.76 L3MBTL1 (0.31) CA12CA2LMNACA9MCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3063184-B1 ASYMMETRIC CATALYSTS FOR OLEFIN POLYMERISATION EXXONMOBIL CHEMICAL PATENTS INC (US) 2017-11-29 EP disclosed
EP-3063184-A1 ASYMMETRIC POLYPROPYLENE CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2016-09-07 EP disclosed
US-9266910-B2 Asymmetric polypropylene catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-02-23 US disclosed
WO-2015065681-A1 ASYMMETRIC POLYPROPYLENE CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-05-07 WO disclosed
US-20150119539-A1 Asymmetric Polypropylene Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2015-04-30 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-20150119539-A1 Asymmetric Polypropylene Catalysts PIN1, PPIF, PPOX CA12 3736/4885CA2 4706/4885LMNA 4518/4885

“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.