SCHEMBL13020439

SCHEMBL13020439

Cc1ccc(OCC(C)(C)C)cn1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.45
CHRNA4 P43681 4/20 0.45
CHRNB1 P11230 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNB3 Q05901 1/20 0.43
GRM5 P41594 1/20 0.43
P4HTM Q9NXG6 1/20 0.41
NUDT1 P36639 3/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
EGLN2 Q96KS0 1/20 0.39
XDH P47989 1/20 0.37

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
SCHEMBL20037956 0.85 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL20089414 0.85 CHRNB2 (0.41) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL506299 0.82 CHRNB2 (0.42) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL20037814 0.82 NUDT1 (0.45) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL26401540 0.82 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL21182267 0.79 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3
SCHEMBL2568686 0.78 CHRNA3 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL14752594 0.78 P4HTM (0.40) P4HTMNUDT1EGLN2XDH
SCHEMBL20085933 0.78 EGLN2 (0.39) CHRNB2CHRNA4P4HTMNUDT1EGLN2
SCHEMBL21921098 0.78 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB1CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10460879-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for producing dye-sensitized solar cell FUJIFILM CORPORATION (JP) 2019-10-29 US disclosed
US-20190295778-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2019-09-26 US disclosed
EP-2922137-B1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR MANUFACTURING DYE-SENSITIZED SOLAR CELL FUJIFILM CORP (JP) 2019-04-03 EP disclosed
US-9782408-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-10-10 US disclosed
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-07-13 US disclosed
US-20170117099-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-04-27 US disclosed
US-20170117100-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-04-27 US disclosed
US-20170117099-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF FUJIFILM CORPORATION (JP) 2017-04-27 US disclosed
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-04-07 US disclosed
US-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-09-03 US disclosed
US-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL FUJIFILM CORPORATION (JP) 2015-09-03 US disclosed
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-12-30 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 (8 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-20150248969-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, DYE-ADSORBED ELECTRODE, AND METHOD FOR PRODUCING DYE-SENSITIZED SOLAR CELL CHRM1, L1CAM, CRY1 CHRNB2 660/4885CHRNA4 266/4885CHRNB1 423/4885
US-20190295778-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF LEF1, MLLT3, CRY1 CHRNB2 2936/4885CHRNA4 992/4885CHRNB1 1779/4885
US-20170117100-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF DLK1, CACNA1C, CRY1 CHRNB2 2606/4885CHRNA4 701/4885CHRNB1 1613/4885
US-20100331348-A1 TROPANE DERIVATIVES USEFUL AS PESTICIDES DDT, ACHE, TPM3 CHRNB2 31/4885CHRNA4 51/4885CHRNB1 34/4885
US-10460879-B2 Photoelectric conversion element, dye-sensitized solar cell, metal complex dye, dye solution, dye-adsorbed electrode, and method for producing dye-sensitized solar cell CHRM1, L1CAM, CRY1 CHRNB2 573/4885CHRNA4 234/4885CHRNB1 421/4885
US-20170117099-A1 PHOTOELECTRIC CONVERSION ELEMENT, DYE-SENSITIZED SOLAR CELL, METAL COMPLEX DYE, DYE SOLUTION, AND TERPYRIDINE COMPOUND OR ESTERIFIED PRODUCT THEREOF LEF1, MLLT3, CRY1 CHRNB2 2936/4885CHRNA4 992/4885CHRNB1 1779/4885
US-20160095858-A1 Modulators of Cystic Fibrosis Transmembrane Conductance Regulator CFTR, SCNN1B, SLC26A4 CHRNB2 906/4885CHRNA4 829/4885CHRNB1 361/4885
US-20170196862-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 CHRNB2 906/4885CHRNA4 829/4885CHRNB1 361/4885

“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.