SCHEMBL1022162

SCHEMBL1022162

CC(C)(O)C(C)(C)Oc1ccccc1.[B]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ALOX15 P16050 1/20 0.37
LTA4H P09960 3/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 5/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
MAPK1 P28482 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
PPARA Q07869 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
LMNA P02545 2/20 0.33

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
SCHEMBL27617060 0.95 CA4 (0.39) CA4ALDH1A1ALOX15LTA4HTSHR
Boric Acid SCHEMBL28167570 0.91 CA1 (0.36) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL28993181 0.91 CA4 (0.36) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL7533166 0.91 CA4 (0.36) CA4ALDH1A1ALOX15LTA4HTSHR
Boric Acid SCHEMBL28318217 0.90 CA1 (0.35) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL28993166 0.81 NPC1 (0.40) ALDH1A1TSHRPPARGPPARACYP2C19
SCHEMBL675061 0.78 CA4 (0.43) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL693241 0.78 CA4 (0.43) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL118174 0.78 CA4 (0.43) CA4ALDH1A1ALOX15LTA4HTSHR
SCHEMBL12359993 0.78 CA4 (0.43) CA4ALDH1A1ALOX15LTA4HTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111051313-B Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2023-06-20 CN disclosed
US-8217391-B2 Organic semiconductor transistor, method of producing the same, and electronic device FUJI XEROX CO., LTD. (JP) 2012-07-10 US disclosed
EP-2233488-B1 THIAZOLOTHIAZOLE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME FUJI XEROX CO LTD (JP) 2011-01-12 EP disclosed
US-7812172-B2 Charge transport materials; for organic electronic devices such as organic photoreceptors, organic electroluminescence devices, organic transistors, and organic optical memories FUJI XEROX CO., LTD. (JP) 2010-10-12 US disclosed
US-20100243995-A1 ORGANIC SEMICONDUCTOR TRANSISTOR, METHOD OF PRODUCING THE SAME, AND ELECTRONIC DEVICE FUJI XEROX CO., LTD. (JP) 2010-09-30 US disclosed
EP-2233488-A1 THIAZOLOTHIAZOLE DERIVATIVES AND ORGANIC ELECTRONIC DEVICE USING THE SAME Fuji Xerox Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE FUJI XEROX CO., LTD. (JP) 2010-06-03 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-20100137611-A1 THIAZOLOTHIAZOLE DERIVATIVE BCAT1, ABAT, BCAT2 CA4 1873/4885ALDH1A1 58/4885ALOX15 1991/4885

“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.