SCHEMBL11297486

SCHEMBL11297486

CCC(=O)c1ccccc1C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
PDK2 Q15119 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AB1 P08238 1/20 0.40
CA2 P00918 1/20 0.40
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
ELANE P08246 1/20 0.39
PRTN3 P24158 1/20 0.39
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
TP53 P04637 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
SCHEMBL28523326 0.86 PDK2 (0.41) ALDH1A1TSHRPDK2L3MBTL1MAPT
SCHEMBL7930236 0.85 PDK2 (0.44) ALDH1A1TSHRTDP1PDK2L3MBTL1
SCHEMBL27645716 0.83 CA2 (0.55) ALDH1A1TSHRTDP1PDK2HSP90AB1
SCHEMBL27325599 0.82 PDK2 (0.41) ALDH1A1TSHRPDK2L3MBTL1MAPT
SCHEMBL1505336 0.82 ALDH1A1 (0.42) ALDH1A1TSHRTDP1MAPTSMN1; SMN2
SCHEMBL29410857 0.82 CTNNB1 (0.57) PDK2CTNNB1WNT3AGAA
SCHEMBL1950901 0.82 CTNNB1 (0.57) PDK2CTNNB1WNT3AGAA
SCHEMBL11828403 0.82 PTPN1 (0.50) ALDH1A1TSHRTDP1CA2CTNNB1
Hydrochloric Acid SCHEMBL5819908 0.81 CTNNB1 (0.55) PDK2CTNNB1WNT3AGAA
SCHEMBL13990159 0.80 L3MBTL1 (0.52) ALDH1A1TSHRTDP1PDK2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0045571-A1 Process for the production of phenyl substituted aldehydes and of phenyl substituted alcohols BUSH BOAKE ALLEN Limited (GB) 1982-02-10 EP claimed
CN-117480237-A Fabric spray composition 联合利华知识产权控股有限公司 2024-01-30 CN disclosed
CN-116685735-A Laundry spray composition 联合利华知识产权控股有限公司 2023-09-01 CN disclosed
CN-116209742-A Fabric conditioner for athletic garments 联合利华知识产权控股有限公司 2023-06-02 CN disclosed
CN-116075584-A Laundry spray composition 联合利华知识产权控股有限公司 2023-05-05 CN disclosed
CN-114901901-A Fabric spray 联合利华知识产权控股有限公司 2022-08-12 CN disclosed
CN-114174584-A Fabric spray composition 联合利华知识产权控股有限公司 2022-03-11 CN disclosed
EP-3810985-A1 LIGHT EMISSIVE DISPLAYS COMPRISING OVERPRINT VARNISHES Sun Chemical Corporation (US) 2021-04-28 EP disclosed
CN-111225971-A Improvements in and relating to refreshing of laundry 荷兰联合利华有限公司 2020-06-02 CN disclosed
CN-111212895-A Aqueous spray composition 荷兰联合利华有限公司 2020-05-29 CN disclosed
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2014-08-07 US disclosed
US-8741933-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-03 US disclosed
US-20130245010-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-19 US disclosed
US-20130245011-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-09-19 US disclosed
US-20130237568-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2013-09-12 US disclosed
CN-103183624-A Catalyst used for olefine polymerization or copolymerization and preparation method thereof SHANGHAI INST ORGANIC CHEM 2013-07-03 CN disclosed
US-8324207-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-12-04 US disclosed
US-8293715-B2 10a-Azalide compound crosslinked at 10a- and 12-positions TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-10-23 US disclosed
US-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-09-29 US disclosed
US-7825152-B2 serine protease inhibitors, for the treatment of hepatitis c virus infections NOVARTIS AG (CH) 2010-11-02 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 (5 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-20110237784-A1 10A-AZALIDE COMPOUND CROSSLINKED AT 10A- AND 12-POSITIONS DCLRE1A, AZI2, CHD9 ALDH1A1 2376/4885TSHR 2232/4885TDP1 1385/4885
US-20130245010-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1991/4885TSHR 3010/4885TDP1 4439/4885
US-20140221345-A1 PRMT5 INHIBITORS AND USES THEREOF PRMT5, PRMT1, PRMT6 ALDH1A1 2460/4885TSHR 3498/4885TDP1 600/4885
US-20130237568-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 ALDH1A1 1786/4885TSHR 2723/4885TDP1 4242/4885
US-20130245011-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 ALDH1A1 1991/4885TSHR 3010/4885TDP1 4439/4885

“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.