SCHEMBL446933

SCHEMBL446933

Cc1cc(C=O)c(C=O)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
TSHR P16473 2/20 0.50
ERN1 O75460 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
GRIA4 P48058 1/20 0.44
TDP1 Q9NUW8 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.40
BLM P54132 1/20 0.40
MAPT P10636 1/20 0.38

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
SCHEMBL30600409 1.00 ALDH1A1 (0.50) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2
SCHEMBL3687015 0.88 GRIA1 (0.52) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2
SCHEMBL97117 0.88 GRIA1 (0.52) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2
SCHEMBL2884919 0.87 GRIA1 (0.56) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2
SCHEMBL19255286 0.87 ALDH1A1 (0.41) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2
SCHEMBL686656 0.85 CYP1A2 (0.55) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2
SCHEMBL23049567 0.81 TDP1 (0.48) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2
SCHEMBL1397558 0.81 ERN1 (0.50) ALDH1A1TSHRERN1CYP1A2CYP3A4
SCHEMBL13556326 0.81 ALDH1A1 (0.41) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2
SCHEMBL3204262 0.81 TSHR (0.48) ALDH1A1TSHRERN1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435446-B1 FLUORINATED SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2016-11-30 EP disclosed
CN-102124015-B Silylethynyl pentacene compounds and compositions, and methods of making and using the same 3M INNOVATIVE PROPERTIES CO 2015-03-11 CN disclosed
EP-2307427-B1 SILYLETHYNYL PENTACENE COMPOUNDS AND COMPOSITIONS AND METHODS OF MAKING AND USING THE SAME 3M INNOVATIVE PROPERTIES CO (US) 2015-02-18 EP disclosed
US-8956555-B2 Silylethynyl pentacene compounds and compositions and methods of making and using the same 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-02-17 US disclosed
US-8920679-B2 Fluorinated silylethynyl pentacene compounds and compositions and methods of making and using the same 3M INNOVATIVE PROPERTIES CO. (US) 2014-12-30 US disclosed
EP-1880429-B1 POLYACENE AND SEMICONDUCTOR FORMULATION MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
EP-1880429-B1 POLYACENE AND SEMICONDUCTOR FORMULATION MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
US-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same 3M INNOVATIVE PROPERTIES COMPANY 2012-03-15 US disclosed
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
US-8119804-B2 Organic semiconducting layers MERCK PATENT GMBH (DE) 2012-02-21 US disclosed
WO-2006080753-A1 CATALYST FOR PARTIAL OXIDATION OF METHYLBENZENES AND METHOD FOR PRODUCING AROMATIC ALDEHYDES USING THE SAME LG CHEM, LTD. (KR) 2006-08-03 WO disclosed
US-20060094906-A1 Catalyst for partial oxidation of methylbenzenes and method for producing aromatic aldehydes using the same LG CHEM, LTD. (KR) 2006-05-04 US disclosed
EP-1099475-B1 Method for producing aromatic aldehyde by catalytic gaseous phase oxidation of methylbenzene NIPPON CATALYTIC CHEM IND (JP) 2006-02-08 EP disclosed
WO-2005055248-A2 ORGANIC SEMICONDUCTING LAYER FORMULATIONS COMPRISING POLYACENES AND ORGANIC BINDER POLYMERS MERCK PATENT GMBH (DE) 2005-06-16 WO disclosed
US-20020188159-A1 Oxidization catalyst for alkylbenzene and method for producing aromatic aldehyde NIPPON SHOKUBAI CO., LTD. 2002-12-12 US disclosed
EP-1245277-A1 Catalyst for the oxidation of alkylbenzenes to aromatic aldehydes Nippon Shokubau Co.,Ltd. (JP) 2002-10-02 EP disclosed
US-6458737-B1 WHICH IS USED FOR THE PRODUCTION OF THE CORRESPONDING AROMATIC ALDEHYDE BY THE GAS-PHASE OXIDATION OF A METHYLBENZENE IN THE PRESENCE OF MOLECULAR OXYGEN WITH METAL OXIDE CATALYST NIPPON SHOKUBAI CO., LTD. (JP) 2002-10-01 US disclosed
EP-1099475-A1 Catalyst for oxidizing methylbenzene and method for producing aromatic aldehyde Nippon Shokubai Co., Ltd. (JP) 2001-05-16 EP disclosed
EP-0374269-A1 Amine thiocyanates as accelerators for cure of polyepoxide-polyimine materials Ashland Oil, Inc. (US) 1990-06-27 EP disclosed
US-4775735-A SHELF STABILITY, QUICK-SETTING ASHLAND OIL, INC. (US) 1988-10-04 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-20120061620-A1 Fluorinated Silyethynyl Pentacene Compounds and Compositions and Methods of Making and Using the Same PFAS, FLNB, FLNA ALDH1A1 1699/4885TSHR 4442/4885ERN1 1441/4885

“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.