SCHEMBL4082774

SCHEMBL4082774

CC(C)(O)C(C)(O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
ESR1 P03372 2/20 0.46
ESR2 Q92731 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2C19 P33261 2/20 0.43
HIF1A Q16665 1/20 0.43
HSD11B1 P28845 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 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
SCHEMBL1617443 0.88 ALDH1A1 (0.52) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL416036 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL14443430 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL3683859 0.83 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL2858359 0.81 ALDH1A1 (0.46) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL28174698 0.80 ALDH1A1 (0.50) ALDH1A1ALOX15ESR1ESR2CYP3A4
SCHEMBL9888614 0.79 HSD11B1 (0.63) ALDH1A1ALOX15HSD11B1TSHR
SCHEMBL9888655 0.79 HSD11B1 (0.63) ALDH1A1ALOX15HSD11B1TSHR
SCHEMBL5354310 0.79 HSD11B1 (0.63) ALDH1A1ALOX15HSD11B1TSHR
SCHEMBL29199451 0.78 ALDH1A1 (0.48) ALDH1A1ALOX15ESR1ESR2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4599463-A Process for the preparation of bisphenols GENERAL ELECTRIC COMPANY (US) 1986-07-08 US claimed
US-20180215783-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 US disclosed
US-20180215783-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2018-08-02 US disclosed
WO-2017027337-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2017-02-16 WO disclosed
US-7485413-B2 Photosensitive composition and method for forming pattern using same KABUSHIKI KAISHA TOSHIBA (JP) 2009-02-03 US disclosed
US-7476488-B2 Photosensitive composition and method for forming pattern using same KABUSHIKI KAISHA TOSHIBA (JP) 2009-01-13 US disclosed
US-7338755-B2 Photosensitive composition and method for forming pattern using same KABUSHIKI KAISHA TOSHIBA (JP) 2008-03-04 US disclosed
US-20070238050-A1 PHOTOSENSITIVE COMPOSITION AND METHOD FOR FORMING PATTERN USING SAME KABUSHIKI KAISHA TOSHIBA (JP) 2007-10-11 US disclosed
US-20070224550-A1 PHOTOSENSITIVE COMPOSITION AND METHOD FOR FORMING PATTERN USING SAME KABUSHIKI KAISHA TOSHIBA (JP) 2007-09-27 US disclosed
US-20070224549-A1 PHOTOSENSITIVE COMPOSITION AND METHOD FOR FORMING PATTERN USING SAME KABUSHIKI KAISHA TOSHIBA (JP) 2007-09-27 US disclosed
US-7241554-B2 Photosensitive composition and method for forming pattern using same KABUSHIKI KAISHA TOSHIBA (JP) 2007-07-10 US disclosed
US-20060003254-A1 Photosensitive composition and method for forming pattern using same KABUSHIKI KAISHA TOSHIBA (JP) 2006-01-05 US disclosed
US-6177229-B1 COMPRISING ALKALI SOLUBLE RESIN HAVING ALKALI SOLUBLE GROUPS PROTECTED BY SUBSTITUENT DECOMPOSED BY ACID, A COMPOUND WHICH GENERATES ACID UPON IRRADIATION WITH ACTINIC RADIATION, AND A COMPOUND WHICH GENERATES WATER UNDER ACTION OF ACID CATALYST KABUSHIKI KAISHA TOSHIBA (JP) 2001-01-23 US disclosed
US-4599463-A Process for the preparation of bisphenols GENERAL ELECTRIC COMPANY (US) 1986-07-08 US disclosed
US-4207419-A BRONCHODILATORS AMERICAN HOME PRODUCTS CORPORATION (US) 1980-06-10 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-20180215783-A1 BIOORTHOGONAL REACTION OF AN AMINE N-OXIDE AND A BORON AGENT BBOX1, BLVRB, BTD ALDH1A1 2904/4885ALOX15 440/4885ESR1 920/4885

“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.