SCHEMBL2807445

SCHEMBL2807445

CCCCc1cc(C)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.53
GABRD O14764 2/20 0.53
GABRA1 P14867 2/20 0.53
GABRB1 P18505 2/20 0.53
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
GABRA5 P31644 2/20 0.53
GABRA3 P34903 2/20 0.53
GABRA2 P47869 2/20 0.53
GABRB2 P47870 2/20 0.53
GABRA4 P48169 2/20 0.53
GABRE P78334 2/20 0.53
GABRA6 Q16445 2/20 0.53
GABRG1 Q8N1C3 2/20 0.53
GABRG3 Q99928 2/20 0.53
GABRQ Q9UN88 2/20 0.53
PLK1 P53350 11/20 0.50
PLK3 Q9H4B4 2/20 0.48
PPARA Q07869 2/20 0.46
CSNK2A1 P68400 1/20 0.46

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
SCHEMBL2808363 0.95 PLK1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27889924 0.93 PLK1 (0.58) PLK1PLK3PPARARARBTRPM2
SCHEMBL27889926 0.93 PLK1 (0.58) PLK1PLK3PPARARARBTRPM2
SCHEMBL9342043 0.93 PLK1 (0.58) PLK1PLK3PPARARARBTRPM2
SCHEMBL28807894 0.93 PLK1 (0.58) PLK1PLK3PPARARARBTRPM2
SCHEMBL13176935 0.93 PLK1 (0.58) PLK1PLK3PPARARARBTRPM2
SCHEMBL2811080 0.93 PLK1 (0.58) PLK1PLK3PPARARARBTRPM2
SCHEMBL27906431 0.93 PLK1 (0.58) PLK1PLK3PPARARARBTRPM2
SCHEMBL7774557 0.91 CSNK2A1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5696657 0.89 PLK1 (0.49) PLK1PLK3PPARACSNK2A1RARB

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
US-8569195-B2 Internal and external donor compounds for olefin polymerization catalysts II BASF CORPORATION (US) 2013-10-29 US claimed
US-20100068439-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA North aAmerica S.ar.I (US) 2010-03-18 US claimed
WO-2008095071-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA TECHNOLOGIES S.AR.L. (CH) 2008-08-07 WO claimed
EP-0094818-B1 PROPYLENE-ETHYLENE COPOLYMERS FOR HIGH-RIGIDITY MOULDED PRODUCTS AND PROCESS FOR PRODUCING THE COPOLYMERS Chisso Corporation (JP) 1988-07-27 EP claimed
US-4276193-A MAGNESIUM DIHALIDE CARRIER, CATALYST COMPRISING AN ELECTRON DONOR, TITANIUM TETRACHLORIDE REDUCED WITH AN ORGANOALUMINUM HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-06-30 US claimed
EP-3260920-A1 TONER COMPOSITIONS WITH ANTIPLASTICIZERS Xerox Corporation (US) 2017-12-27 EP disclosed
US-9684257-B1 Toner compositions with antiplasticizers XEROX CORPORATION (US) 2017-06-20 US disclosed
EP-2782938-B1 HIGH ACTIVITY CATALYST FOR OLEFIN POLYMERIZATION BASF CORP (US) 2016-08-31 EP disclosed
CN-104450318-A Rose soap and preparation method thereof QINGDAO DERUN BATTERY MATERIALS CO LTD 2015-03-25 CN disclosed
US-8895773-B2 Manufacture and use of alkyl p-toluates INVISTA NORTH AMERICA S.A.R.L. (US) 2014-11-25 US disclosed
US-20100068439-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA North aAmerica S.ar.I (US) 2010-03-18 US disclosed
US-20090286912-A1 MANUFACTURE AND USE OF ALKYL p-TOLUATES INVISTA NORTH AMERICA S.A R.L. (US) 2009-11-19 US disclosed
WO-2008095071-A1 POLYESTER COMPOSITION WITH IMPROVED GAS BARRIER PROPERTIES AND ARTICLES THEREOF INVISTA TECHNOLOGIES S.AR.L. (CH) 2008-08-07 WO disclosed
EP-0008764-B1 PROCESS FOR THE PREPARATION OF A CATALYST ON A SOLID CARRIER AND ITS USE IN THE POLYMERISATION OF PROPYLENE BAYER AG (DE) 1982-09-22 EP disclosed
US-4276193-A MAGNESIUM DIHALIDE CARRIER, CATALYST COMPRISING AN ELECTRON DONOR, TITANIUM TETRACHLORIDE REDUCED WITH AN ORGANOALUMINUM HALIDE BAYER AKTIENGESELLSCHAFT (DE) 1981-06-30 US disclosed
EP-0008764-A2 Process for the preparation of a catalyst on a solid carrier and its use in the polymerisation of propylene BAYER AG (DE) 1980-03-19 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 (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-20090286912-A1 MANUFACTURE AND USE OF ALKYL p-TOLUATES EP300, TERT, NAPEPLD GABRP 439/4885GABRD 446/4885GABRA1 416/4885

“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.