SCHEMBL9976868

SCHEMBL9976868

CC(=O)OC1CCC(OC(C)=O)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.55
CHRM4 P08173 3/20 0.42
DRD2 P14416 3/20 0.42
HTR7 P34969 3/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SLC18A3 Q16572 2/20 0.39
SLC6A2 P23975 3/20 0.38
SLC6A3 Q01959 3/20 0.38
SLC6A4 P31645 2/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NOTUM Q6P988 1/20 0.37
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL1265231 0.89 SLC6A2 (0.53) POLBCHRM4DRD2HTR7PKM
SCHEMBL30291056 0.89 POLB (0.46) POLBCHRM4DRD2HTR7PKM
SCHEMBL26419670 0.87 POLB (0.44) POLBCHRM4DRD2HTR7PKM
SCHEMBL2581177 0.87 SLC6A2 (0.55) POLBSLC6A2SLC6A3SLC6A4
SCHEMBL30290984 0.87 POLB (0.44) POLBCHRM4DRD2HTR7PKM
SCHEMBL2581172 0.87 SLC6A2 (0.55) POLBSLC6A2SLC6A3SLC6A4
SCHEMBL817976 0.83 IDO1 (0.56) POLBCHRM4DRD2HTR7
SCHEMBL30908530 0.83 IDO1 (0.56) POLBCHRM4DRD2HTR7
SCHEMBL11592064 0.83 POLB (0.41) POLBCHRM4DRD2HTR7PKM
SCHEMBL29829637 0.82 POLB (0.50) POLBCHRM4DRD2HTR7PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-56118042-A None JP disclosed
US-9224959-B2 Method for producing a pi-electron conjugated compound RICOH COMPANY, LTD. (JP) 2015-12-29 US disclosed
US-9224959-B2 Method for producing a pi-electron conjugated compound RICOH COMPANY, LTD. (JP) 2015-12-29 US disclosed
US-9123896-B2 Organic electronic device containing an organic semiconductor material film which contains a leaving substituent-containing compound RICOH COMPANY, LTD. (JP) 2015-09-01 US disclosed
US-9123896-B2 Organic electronic device containing an organic semiconductor material film which contains a leaving substituent-containing compound RICOH COMPANY, LTD. (JP) 2015-09-01 US disclosed
US-20140187797-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND GOTO DAISUKE (JP) 2014-07-03 US disclosed
US-20140187797-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND GOTO DAISUKE (JP) 2014-07-03 US disclosed
US-20140175416-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND GOTO DAISUKE (JP) 2014-06-26 US disclosed
US-20140175416-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND GOTO DAISUKE (JP) 2014-06-26 US disclosed
US-8680296-B2 Leaving substituent-containing compound, products produced using the same, and methods for producing the products RICOH COMPANY, LTD. (JP) 2014-03-25 US disclosed
US-8680296-B2 Leaving substituent-containing compound, products produced using the same, and methods for producing the products RICOH COMPANY, LTD. (JP) 2014-03-25 US disclosed
US-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2012-06-21 US disclosed
US-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND RICOH COMPANY, LTD. (JP) 2012-06-21 US disclosed
JP-S56118042-A PREPARATION OF 1-TETRALOL, 1,4-TETRALINEDIOL AND THEIR FATTY ACID ESTER AGENCY OF IND SCIENCE & TECHNOL 1981-09-16 JP 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-20120153271-A1 LEAVING SUBSTITUENT-CONTAINING COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, ORGANIC SEMICONDUCTOR FILM CONTAINING THE MATERIAL, ORGANIC ELECTRONIC DEVICE CONTAINING THE FILM, METHOD FOR PRODUCING FILM-LIKE PRODUCT, PI-ELECTRON CONJUGATED COMPOUND AND METHOD FOR PRODUCING THE PI-ELECTRON CONJUGATED COMPOUND F12, C1S, PYM1 POLB 1746/4885CHRM4 176/4885DRD2 810/4885

“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.