SCHEMBL4871056

SCHEMBL4871056

CC1=C(C)C(C)(C)C([Zr]C2=C(C)C(C)=C(C)C2(C)C)=C1C.c1ccc(CCc2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
KCNH2 Q12809 2/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TAAR1 Q96RJ0 3/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CYP2A6 P11509 1/20 0.33
HTR2A P28223 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
ELANE P08246 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
Biphenyl SCHEMBL7600510 0.83 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL248760 0.78 CTSD (0.33)
Bromide SCHEMBL7870148 0.76 CTSD (0.32)
Hydrochloric Acid SCHEMBL137722 0.76 CTSD (0.32)
Hydrochloric Acid SCHEMBL4093025 0.76 CTSD (0.32)
Butane SCHEMBL8165611 0.74
SCHEMBL8652405 0.74 CTSD (0.31)
Chloromethane SCHEMBL3682470 0.74 CTSD (0.31)
SCHEMBL2191663 0.72
Water SCHEMBL2780320 0.68 ALDH1A1 (0.65) MAOAMAOBKCNH2ALDH1A1HPGD

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332551-B2 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-19 US disclosed
US-7077977-B2 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-18 US disclosed
US-6909008-B2 Cocatalyst compositions EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-06-21 US disclosed
US-20050049436-A1 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. 2005-03-03 US disclosed
EP-1509552-A1 SOLID, PARTICULATED, SPRAY DRIED, HETEROGENOUS CATALYST COMPOSITION Univation Technologies LLC (US) 2005-03-02 EP disclosed
US-20040254065-A1 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-16 US disclosed
US-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-07 US disclosed
EP-1463738-A1 PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES Exxonmobil Chemical Patents Inc. (US) 2004-10-06 EP disclosed
US-20040152591-A1 Polymerized metallocene catalyst composition EXXONMOBIL CHEMICAL PATENTS, INC. 2004-08-05 US disclosed
WO-2003102037-A1 SOLID, PARTICULATED, SPRAY DRIED, HETEROGENOUS CATALYST COMPOSITION UNIVATION TECHNOLOGIES, LLC (US) 2003-12-11 WO disclosed
WO-2002088197-A2 SOLUTION POLYMERIZATION PROCESS WITH DISPERSED CATALYST ACTIVATOR DOW GLOBAL TECHNOLOGIES INC. (US) 2002-11-07 WO disclosed
US-5883204-A ADDING AN IONIC CATALYST ACTIVATOR TO A SOLUTION OLEFIN POLYMERIZATION REACTION THE DOW CHEMICAL COMPANY (US) 1999-03-16 US disclosed
EP-0889910-A1 SOLUTION POLYMERIZATION PROCESS WITH DISPERSED CATALYST ACTIVATOR THE DOW CHEMICAL COMPANY (US) 1999-01-13 EP disclosed
EP-0591756-B1 Polymerization catalysts and process for producing polymers IDEMITSU KOSAN CO (JP) 1998-11-25 EP disclosed
EP-0522581-B1 Process for producing olefin based polymers and olefin polymerization catalyst IDEMITSU KOSAN CO (JP) 1997-10-15 EP disclosed
WO-1997035892-A1 SOLUTION POLYMERIZATION PROCESS WITH DISPERSED CATALYST ACTIVATOR THE DOW CHEMICAL COMPANY (US) 1997-10-02 WO disclosed
US-5461127-A Comprising group 4 metal, cyclic hydrocarbon, ligands, Lewis base; addition polymerization IDEMITSU KOSAN CO., LTD. (JP) 1995-10-24 US disclosed
US-5444134-A Using a coordination catalyst IDEMITSU KOSAN CO., LTD. (JP) 1995-08-22 US disclosed
EP-0591756-A2 Polymerization catalysts and process for producing polymers IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-04-13 EP disclosed
EP-0522581-A1 Process for producing olefin based polymers and olefin polymerization catalyst IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-01-13 EP 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 (2 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-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS AADAC, NAA15, ALG8 CYP1A2 2551/4885CYP2D6 2571/4885CYP2C19 3805/4885
US-20050049436-A1 Partially fluorinated naphthyl-based borates NBAS, TNK1, POF1B CYP1A2 3725/4885CYP2D6 3380/4885CYP2C19 3006/4885

“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.