SCHEMBL7528014

SCHEMBL7528014

CC(C)COc1ccc(S)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
HPGD P15428 4/20 0.47
POLB P06746 3/20 0.47
XBP1 P17861 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
TSHR P16473 2/20 0.45
RAB9A P51151 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MEN1 O00255 1/20 0.44
ALOX12 P18054 1/20 0.44
KMT2A Q03164 1/20 0.44
ACACB O00763 5/20 0.41
NR1H4 Q96RI1 2/20 0.41
S1PR1 P21453 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL123415 0.88 MAPT (0.55) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL28430598 0.83 LMNA (0.64) MAPTPOLBKDM4ECYP2C9LMNA
SCHEMBL9502703 0.83 LMNA (0.39) MAPTPOLBCYP2C9CYP2C19LMNA
SCHEMBL19683652 0.82 MAPT (0.47) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL20851318 0.81 MAPT (0.58) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL9143121 0.81 FFAR1 (0.50) MAPTALDH1A1LMNATSHR
SCHEMBL9143127 0.81 FFAR1 (0.50) MAPTALDH1A1LMNATSHR
SCHEMBL7329813 0.79 NQO1 (0.67) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL3182331 0.79 HPGD (0.66) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL2231003 0.79 TSHR (0.50) MAPTHPGDPOLBXBP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113711113-B Optical material, polymerizable composition for optical material, plastic lens, goggles, infrared sensor, and infrared camera 三井化学株式会社 2023-07-28 CN disclosed
CN-113711113-A Optical material, polymerizable composition for optical material, plastic lens, eyewear, infrared sensor, and infrared camera 三井化学株式会社 2021-11-26 CN disclosed
WO-2020218614-A1 OPTICAL MATERIAL, POLYMERIZABLE COMPOSITION FOR OPTICAL MATERIAL, PLASTIC LENS, EYEWEAR, INFRARED SENSOR, AND INFRARED CAMERA 三井化学株式会社 2020-10-29 WO disclosed
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2020-09-01 US disclosed
US-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-09-05 US disclosed
CN-101925594-B Photoacid generators and photoreactive compositions SUMITOMO SEIKA CHEMICALS 2013-11-20 CN disclosed
CN-101925594-A Photoacid generators and photoreactive compositions SUMITOMO SEIKA CHEMICALS 2010-12-22 CN disclosed
EP-0928816-B1 Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof YAMAMOTO CHEMICALS INC (JP) 2002-03-06 EP disclosed
US-6093832-A NEAR INFRARED RAY ABSORBING MATERIAL OR A LIGHT-HEAT CONVERSION MATERIAL YAMAMOTO CHEMICALS, INC. (JP) 2000-07-25 US disclosed
US-5973140-A Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof YAMAMOTO CHEMICALS, INC (JP) 1999-10-26 US disclosed
EP-0928816-A2 Phthalocyanine compound, its intermediate, process for producing the compound, and use thereof Yamamoto Chemicals, Inc. (JP) 1999-07-14 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-20190269683-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 MAPT 4883/4885HPGD 1850/4885POLB 4234/4885
US-10758534-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1B, SLC26A4 MAPT 4883/4885HPGD 1850/4885POLB 4234/4885

“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.