SCHEMBL4508763

SCHEMBL4508763

CC(C)(C)c1ccc(CO)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
ALOX15 P16050 2/20 0.59
HSD17B10 Q99714 2/20 0.59
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
KLF10 Q13118 1/20 0.55
CYP2D6 P10635 3/20 0.50
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 2/20 0.43
TYR P14679 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41

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
SCHEMBL51349 0.85 ALDH1A1 (0.61) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5636034 0.83 KLF10 (0.78) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL30124085 0.83 KLF10 (0.78) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL5167762 0.83 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL22275799 0.83 KLF10 (0.53) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL16405458 0.82 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL10233336 0.82 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL14297625 0.82 EPHX2 (0.44) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL11344556 0.82 ALDH1A1 (0.57) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL7979494 0.81 KLF10 (0.47) ALDH1A1ALOX15HSD17B10HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113321625-B Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound 湖南第一师范学院 2022-05-24 CN disclosed
CN-113321625-A Synthetic method for preparing benzoxazole compound from catechol compound, ammonium acetate and aldehyde compound 湖南第一师范学院 2021-08-31 CN disclosed
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7638648-B2 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN INC. (US) 2009-12-29 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-7468391-B2 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2008-12-23 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. (US) 2008-01-03 US disclosed
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B ALLERGAN, INC. (US) 2005-08-25 US disclosed
US-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same ALLERGAN, INC. 2005-08-11 US disclosed
WO-2005058798-A2 COMPOUNDS HAVING SELECTIVE CYTOCHROME P450RAI-1 OR SELECTIVE CYTOCHROME P450RAI-2 INHIBITORY ACTIVITY AND METHODS OF OBTAINING THE SAME ALLERGAN, INC. (US) 2005-06-30 WO disclosed
WO-2005058301-A1 METHODS FOR TREATING RETINOID RESPONSIVE DISORDERS USING SELECTIVE INHIBITORS OF CYP26A AND CYP26B ALLERGAN, INC. (US) 2005-06-30 WO disclosed
US-5728861-A REACTING OLEFIN WITH CARBON MONOXIDE AND HYDROGEN IN PRESENCE OF CATALYST CONTAINING GROUP VIII METAL AND SPECIFIED BISPHOSPHITE COMPOUND TO FORM ALDEHYDE MITSUBISHI CHEMICAL CORPORATION (JP) 1998-03-17 US disclosed
US-5712403-A CATALYST MITSUBISHI CHEMICAL CORPORATION (JP) 1998-01-27 US disclosed
US-5663403-A CATALYSTS FOR HYDROFORMYLATION OR SIDE REACTION REDUCTION OF OLEFINS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-09-02 US disclosed
US-5600032-A OLIGOMERIZATION OF A CONJUGATED ALKADIENE IN PRESENCE OFPALLADIUM, PHOSPHORUS COMPLEX MITSUBISHI CHEMICAL CORPORATION (JP) 1997-02-04 US disclosed
EP-0009641-B1 POLYPHOSPHAZENE POLYMERS CONTAINING ORTHO-DIFUNCTIONAL PHENYLENE SUBSTITUENTS AND METHOD FOR PREPARING SAME THE FIRESTONE TIRE & RUBBER COMPANY (US) 1983-03-23 EP disclosed
US-4221898-A Polyphosphazene polymers containing ortho-difunctional phenylene substitutents THE FIRESTONE TIRE & RUBBER COMPANY (US) 1980-09-09 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 (3 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-20050176689-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 ALDH1A1 96/4885ALOX15 509/4885HSD17B10 74/4885
US-20050187298-A1 Methods for treating retinoid responsive disorders using selective inhibitors of CYP26A and CYP26B CYP26B1, CYP2A6, CYP21A2 ALDH1A1 108/4885ALOX15 779/4885HSD17B10 116/4885
US-20080004455-A1 Compounds having selective cytochrome P450RAI-1 or selective cytochrome P450RAI-2 inhibitory activity and methods of obtaining the same CYP1A2, CYP2A7, CYP3A7 ALDH1A1 96/4885ALOX15 509/4885HSD17B10 74/4885

“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.