SCHEMBL51349

SCHEMBL51349

CC(C)(C)c1ccc(Cc2ccc(C(C)(C)C)cc2O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
HPGD P15428 1/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP2D6 P10635 3/20 0.52
MAPT P10636 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
RECQL P46063 1/20 0.50
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
LMNA P02545 1/20 0.44
TYR P14679 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL12733517 0.85 ALDH1A1 (0.50) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5167762 0.85 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4508763 0.85 ALDH1A1 (0.59) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10233336 0.83 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL11344556 0.83 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL16405458 0.83 ALDH1A1 (0.57) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL51058 0.83 CYP2D6 (0.67) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL8634099 0.82 HSPA5 (0.71) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL5166273 0.82 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1
Hydrochloric Acid SCHEMBL250215 0.82 ALDH1A1 (0.55) ALDH1A1HPGDALOX15HSD17B10TDP1

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-2181853-B1 Thermosensitive recording medium JUJO PAPER CO LTD (JP) 2015-09-23 EP disclosed
US-8492308-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2013-07-23 US disclosed
US-8129307-B2 Thermosensitive recording medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2012-03-06 US disclosed
US-20110269622-A1 THERMOSENSITIVE RECORDING MEDIUM NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2011-11-03 US disclosed
US-20110130281-A1 THERMOSENSITIVE RECORDING MEDIUM API CORPORATION 2011-06-02 US disclosed
EP-2112001-B1 THERMOSENSITIVE RECORDING MEDIUM JUJO PAPER CO LTD (JP) 2011-05-11 EP disclosed
EP-2261045-A1 HEAT-SENSITIVE RECORDING MEDIUM Nippon Paper Industries Co., Ltd. (JP) 2010-12-15 EP disclosed
EP-2181853-A1 THERMAL RECORDING MATERIAL Nippon Paper Industries Co., Ltd. (JP) 2010-05-05 EP disclosed
US-20100099557-A1 Thermosensitive Recording Medium NIPPON PAPER INDUSTRIES CO., LTD. (JP) 2010-04-22 US disclosed
US-7141359-B2 Developers for thermal recording materials and thermal recording materials API CORPORATION (JP) 2006-11-28 US disclosed
US-20050118526-A1 Developers for thermal recording materials and thermal recording materials MITSUBISHI CHEMICAL CORPORATION (JP) 2005-06-02 US disclosed
EP-1393923-A1 DEVELOPERS FOR THERMAL RECORDING MATERIALS AND THERMAL RECORDING MATERIALS API Corporation (JP) 2004-03-03 EP disclosed
EP-0333445-B1 Aromatic allene compounds and preparation thereof NIPPON PAINT CO LTD (JP) 1995-01-18 EP disclosed
US-5340931-A Chemical intermediates for allyl or vinyl ether polymers NIPPON PAINT CO., LTD. (JP) 1994-08-23 US disclosed
EP-0457334-B1 Carbonates of acetylenic alcohols NIPPON PAINT CO LTD (JP) 1994-08-10 EP disclosed
US-5258542-A Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1993-11-02 US disclosed
US-5194653-A Useful in making heat resistant liquid crystalline polymers NIPPON PAINT COMPANY, LIMITED (JP) 1993-03-16 US disclosed
EP-0457334-A1 Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1991-11-21 EP disclosed
EP-0333445-A2 Aromatic allene compounds and preparation thereof NIPPON PAINT CO., LTD. (JP) 1989-09-20 EP disclosed