SCHEMBL504056

SCHEMBL504056

CC(C)(C)c1cc(C(=O)O)c2c(c1)C(C)(C)c1cc(C(C)(C)C)cc(C(=O)O)c1O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRB P28702 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
RXRA P19793 6/20 0.37
RXRG P48443 2/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NR1H4 Q96RI1 2/20 0.34
AKR1C2 P52895 2/20 0.33
AKR1C1 Q04828 1/20 0.33
GRIN2C Q14957 1/20 0.32
NOTUM Q6P988 1/20 0.32
SRD5A2 P31213 1/20 0.32
AKR1C3 P42330 1/20 0.31
SERPINE1 P05121 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL29415451 1.00 RXRB (0.39) RXRBTDP1GABBR2GABBR1RXRA
SCHEMBL1977392 0.92 RXRB (0.34) RXRBTDP1GABBR2GABBR1RXRA
SCHEMBL4024339 0.83 GABBR2 (0.36) GABBR2GABBR1RXRAKDM4EALDH1A1
SCHEMBL8448354 0.78 TPMT (0.36) RXRBTDP1RXRARXRGAKR1C2
Hydrochloric Acid SCHEMBL7199340 0.77 TPMT (0.35) RXRBTDP1RXRARXRGAKR1C2
Hydrochloric Acid SCHEMBL5827032 0.77 TPMT (0.35) RXRBTDP1RXRARXRGAKR1C2
SCHEMBL547487 0.76 ALDH1A1 (0.39) TDP1GABBR2GABBR1KDM4EMEN1
SCHEMBL12587964 0.76 GABBR2 (0.32) GABBR2GABBR1KDM4EALDH1A1HPGD
SCHEMBL811190 0.75 POLB (0.39) GABBR2GABBR1
SCHEMBL12587965 0.75 GABBR2 (0.31) GABBR2GABBR1RXRAKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116203119-B MALDI-MS matrix for detecting small molecular compounds and detection method 生物岛实验室 2024-02-06 CN claimed
CN-116203119-A MALDI-MS matrix for detecting small molecular compounds and detection method 生物岛实验室 2023-06-02 CN claimed
US-8968711-B2 Cosmetic or dermatological composition comprising a polymer bearing junction groups, and cosmetic treatment process L'OREAL (FR) 2015-03-03 US claimed
WO-2012051641-A1 METAL OXIDE PARTICLES UNIVERSITY OF QUEENSLAND (AU) 2012-04-26 WO claimed
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT L'OREAL (FR) 2010-10-28 US claimed
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-09-23 US claimed
US-7732625-B2 Colorant compounds XEROX CORPORATION (US) 2010-06-08 US claimed
US-7311767-B2 Forming a salt of a liquid phase change ink carrier of stearyl stearamide, an amine substituted Xanthene, acridine, anthracene or thioxanthene chromogen, and a metal salt capable of forming a compound with two chromogens XEROX CORPORATION (US) 2007-12-25 US claimed
US-7033424-B2 Phase change inks XEROX CORPORATION (US) 2006-04-25 US claimed
US-20060021546-A1 Processes for preparing phase change inks XEROX CORPORATION 2006-02-02 US claimed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US claimed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-6946025-B2 Process for preparing tetra-amide compounds XEROX CORPORATION (US) 2005-09-20 US claimed
US-20050090690-A1 Process for preparing tetra-amide compounds XEROX CORPORATION 2005-04-28 US claimed
CN-116203119-B MALDI-MS matrix for detecting small molecular compounds and detection method 生物岛实验室 2024-02-06 CN disclosed
CN-116203119-A MALDI-MS matrix for detecting small molecular compounds and detection method 生物岛实验室 2023-06-02 CN disclosed
EP-0733216-A1 A METHOD AND MATERIAL FOR THE DETECTION OF IONISING RADIATION British Nuclear Fuels PLC (GB) 1996-09-25 EP disclosed
WO-1995016210-A1 A METHOD AND MATERIAL FOR THE DETECTION OF IONISING RADIATION BRITISH NUCLEAR FUELS PLC (GB) 1995-06-15 WO 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 (4 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 RXRB 407/4885TDP1 3338/4885GABBR2 2796/4885
US-20050090690-A1 Process for preparing tetra-amide compounds TAF9, TAF5, TAF1 RXRB 1343/4885TDP1 1182/4885GABBR2 4009/4885
US-20100239509-A1 COSMETIC OR DERMATOLOGICAL COMPOSITION COMPRISING A POLYMER BEARING JUNCTION GROUPS, AND COSMETIC TREATMENT PROCESS CUTA, SUCLG1, KRT18 RXRB 962/4885TDP1 3475/4885GABBR2 651/4885
US-20100272660-A1 COSMETIC OR PHARMACEUTICAL COMPOSITION COMPRISING A POLYCONDENSATE, THE SAID POLYCONDENSATE AND METHOD OF COSMETIC TREATMENT ACMSD, CUTA, PCCA RXRB 727/4885TDP1 3912/4885GABBR2 672/4885

“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.