SCHEMBL1576728

SCHEMBL1576728

CC(C)c1ccc2cccccc1-2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
TRPA1 O75762 1/20 0.45
CDC25A P30304 1/20 0.42
CDC25B P30305 1/20 0.42
PTGS2 P35354 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
BCL2L1 Q07817 1/20 0.41
CYP2A6 P11509 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL22589013 0.93 CA12 (0.59) CA12CA1CA2CA9PPARA
Benzene SCHEMBL28765069 0.93 CA1 (0.58) CA12CA1CA2CA9PPARA
SCHEMBL29613123 0.93 CA1 (0.58) CA12CA1CA2CA9PPARA
SCHEMBL146177 0.93 CA1 (0.58) CA12CA1CA2CA9PPARA
Methane SCHEMBL27656692 0.91 CA1 (0.56) CA12CA1CA2CA9PPARA
Hydrochloric Acid SCHEMBL28861669 0.91 CA1 (0.56) CA12CA1CA2CA9PPARA
Phosphine SCHEMBL27891453 0.91 CA1 (0.56) CA12CA1CA2CA9PPARA
Fluoride SCHEMBL28017023 0.91 CA1 (0.56) CA12CA1CA2CA9PPARA
SCHEMBL27937738 0.86 CA12 (0.58) CA12CA1CA2CA9PPARA
SCHEMBL9488102 0.86 CA12 (0.43) CA12CA1CA2CA9PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101919807-B Suppository composition SHUGUANG ZHONG 2012-05-30 CN claimed
US-11325904-B2 Tropinol esters and related compounds to promote normal processing of APP BUCK INSTITUTE FOR RESEARCH ON AGING (US) 2022-05-10 US disclosed
CN-102000341-B Polyethylene oxide and matrix type surfactant in suppository composition ZHONG SHUGUANG 2013-09-11 CN disclosed
CN-102258785-B Slow-release drug carrier ZHONG SHUGUANG 2013-07-24 CN disclosed
CN-102698277-A Drug carrier for sustained release of drug SHUGUANG ZHONG 2012-10-03 CN disclosed
EP-2486608-A1 MATERIAL FOR A PHOTOACTIVE LAYER IN ORGANIC PHOTODIODES, USE THEREFOR, AND AN ORGANIC PHOTODIODE Siemens Aktiengesellschaft (DE) 2012-08-15 EP disclosed
CN-101919807-B Suppository composition SHUGUANG ZHONG 2012-05-30 CN disclosed
CN-102258785-A Slow-release drug carrier 2011-11-30 CN disclosed
CN-102210871-A Pharmaceutical carrier of slow-release medicine SHUGUANG ZHONG 2011-10-12 CN disclosed
WO-2011039182-A1 MATERIAL FOR A PHOTOACTIVE LAYER IN ORGANIC PHOTODIODES, USE THEREFOR, AND AN ORGANIC PHOTODIODE SIEMENS AKTIENGESELLSCHAFT (DE) 2011-04-07 WO disclosed
CN-1414856-A Antiprurity agents for external use TEIKOKU SEIYAKU KK (JP) 2003-04-30 CN disclosed
EP-1249239-A1 ANTIPRURITIC AGENTS FOR EXTERNAL USE TEIKOKU SEIYAKU CO., LTD. (JP) 2002-10-16 EP disclosed
CN-1265883-A Base material of suppository TENDO PHARMACEUTICAL K K (JP) 2000-09-13 CN disclosed
EP-0568877-B1 Squarylium compounds and optical information recording medium using the same KYOWA HAKKO KOGYO KK (JP) 2000-08-02 EP disclosed
EP-0838463-A2 Squarylium compound and optical information recording medium using the same KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-04-29 EP disclosed
US-5660970-A STORAGE STABILITY; COMPACT DISKS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-08-26 US disclosed
US-5391741-A Can be vacuum deposited; storage stability, high absorbance in near infrared KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-02-21 US disclosed
EP-0568877-A1 Squarylium compounds and optical information recording medium using the same KYOWA HAKKO KOGYO CO., LTD. (JP) 1993-11-10 EP disclosed
US-5149819-A Squarylium compounds and optical information recording medium using the same RICOH COMPANY, LTD. (JP) 1992-09-22 US disclosed
US-5085909-A SQUARYLIUM COMPOUNDS AND OPTICAL INFORMATION RECORDING MEDIUM USING THE SAME RICOH COMPANY, LTD. (JP) 1992-02-04 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-11325904-B2 Tropinol esters and related compounds to promote normal processing of APP APP, BACE1, APBA1 CA12 2162/4885CA1 335/4885CA2 3151/4885

“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.