SCHEMBL4331474

SCHEMBL4331474

CC(C)(C)c1ccc(C(=O)C(O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TSHR P16473 1/20 0.68
HSD17B10 Q99714 1/20 0.68
LMNA P02545 4/20 0.67
CES2 O00748 2/20 0.67
CES1 P23141 2/20 0.67
KDM4E B2RXH2 1/20 0.61
SRD5A2 P31213 1/20 0.49
RAB9A P51151 3/20 0.47
MAPK1 P28482 1/20 0.47
KCNK9 Q9NPC2 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC1 Q13547 1/20 0.46
NPC1 O15118 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
RECQL P46063 1/20 0.45

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
SCHEMBL6758776 0.93 ALDH1A1 (0.68) ALDH1A1TSHRHSD17B10LMNACES2
SCHEMBL2847913 0.91 ALDH1A1 (0.79) ALDH1A1TSHRHSD17B10LMNACES2
Benzoin SCHEMBL6272429 0.89 CES2 (0.57) ALDH1A1TSHRHSD17B10LMNACES2
SCHEMBL17894698 0.87 CES2 (0.63) ALDH1A1TSHRHSD17B10LMNACES2
Benzoin SCHEMBL4557692 0.81 LMNA (0.91) ALDH1A1HSD17B10LMNACES2CES1
Benzoin SCHEMBL901258 0.81 CES2 (1.00) ALDH1A1TSHRLMNACES2CES1
Benzoin SCHEMBL2025536 0.81 CES2 (1.00) ALDH1A1TSHRLMNACES2CES1
Benzoin SCHEMBL10665271 0.81 CES2 (1.00) ALDH1A1TSHRLMNACES2CES1
Benzoin SCHEMBL145 0.81 CES2 (1.00) ALDH1A1TSHRLMNACES2CES1
Benzoin SCHEMBL5833429 0.81 CES2 (1.00) ALDH1A1TSHRLMNACES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP claimed
CN-114787711-A Photosensitive resin composition, and dry film photoresist, photosensitive element, circuit board and display device using the same 可隆工业株式会社 2022-07-22 CN disclosed
US-7521563-B2 Hydroxamic acid derivative and medicine containing the same as active ingredient SHIZUOKA COFFEIN CO., LTD. (JP) 2009-04-21 US disclosed
US-20070208065-A1 Hydroxamic Acid Derivative and Medicine Containing the Same as Active Ingredient SHIZUOKA COFFEIN CO., LTD. (JP) 2007-09-06 US disclosed
EP-1787986-A1 HYDROXAMIC ACID DERIVATIVE AND MEDICINE CONTAINING THE SAME AS ACTIVE INGREDIENT SHIZUOKA COFFEIN CO., LTD. (JP) 2007-05-23 EP disclosed
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
CN-1681763-A Chemical compounds ASTRAZENECA AB (SE) 2005-10-12 CN disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
US-6756432-B2 POLYBUTADIENE TYPE POLYMER WITH A 1-BENZOPYRAN, A 1-BENZO PYRAN-2-ONE OR A BENZOIN DERIVATIVE; MOLDS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-06-29 US disclosed
US-20040082679-A1 Coating composition and coated substrate with good heat stability and colour DSM IP ASSETS B.V. (NL) 2004-04-29 US disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
EP-1358280-A1 COATING COMPOSITION AND COATED SUBSTRATE WITH GOOD HEAT STABILITY AND COLOUR DSM IP Assets B.V. (NL) 2003-11-05 EP disclosed
US-20030153655-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-08-14 US disclosed
WO-2002050194-A1 COATING COMPOSITION AND COATED SUBSTRATE WITH GOOD HEAT STABILITY AND COLOUR DSM IP ASSETS B.V. (NL) 2002-06-27 WO disclosed
EP-1148102-A2 Coating composition and coated substrate with good heat stability and colour DSM N.V. (NL) 2001-10-24 EP disclosed
EP-0564282-B1 Bis-dithiobenzilnickel complexes for use in near-infrared absorbing materials and benzoin derivatives as intermediates therefor JUJO PAPER CO LTD (JP) 1996-07-03 EP disclosed
US-5484689-A SUBSTRATE WITH OPTICAL RECORDING LAYER AND COLORLESSS DYE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1996-01-16 US disclosed
EP-0564282-A2 Bis-dithiobenzilnickel complexes for usae in near-infrared absorbing materials and benzoin derivatives as intermediates therefor NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1993-10-06 EP disclosed
US-4783393-A UNSYMMETRICAL BIS/1,2-DIPHENYL-1,2-ETHANEDITHIOLATO/2-/-S,S*/-PLATINUM COMPOUNDS EASTMAN KODAK COMPANY (US) 1988-11-08 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-20070208065-A1 Hydroxamic Acid Derivative and Medicine Containing the Same as Active Ingredient IL6, IL1A, TNF ALDH1A1 400/4885TSHR 3373/4885HSD17B10 570/4885

“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.