SCHEMBL232522

SCHEMBL232522

CC(C)OC1OC(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 4/20 0.38
HSD17B10 Q99714 2/20 0.38
NT5E P21589 2/20 0.38
GAA P10253 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.35
MAP2K7 O14733 1/20 0.35
GMNN O75496 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CDC25A P30304 1/20 0.35
CDC25B P30305 1/20 0.35

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
SCHEMBL30013944 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EHSD17B10GAA
SCHEMBL2631833 0.79 ALDH1A1 (0.48) ALDH1A1KDM4EHSD17B10GAAPOLB
SCHEMBL11213802 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EHSD17B10GAA
SCHEMBL29441612 0.79 ALDH1A1 (0.52) ALDH1A1KMT2AKDM4EHSD17B10GAA
SCHEMBL21284339 0.77 POLB (0.41) ALDH1A1KMT2AKDM4EHSD17B10POLB
SCHEMBL28759924 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EHSD17B10LMNA
SCHEMBL9910017 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10GAAPOLB
SCHEMBL8577595 0.76 ALDH1A1 (0.46) ALDH1A1KDM4EHSD17B10GAAPOLB
SCHEMBL13292304 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10GAAPOLB
SCHEMBL13302911 0.75 POLB (0.45) ALDH1A1KDM4EHSD17B10POLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000640-A1 EYE TREATMENT NICHAMIN LOUIS D (US) 2018-01-04 US disclosed
US-9788994-B2 Eye treatment NICHAMIN LOUIS D (US) 2017-10-17 US disclosed
US-20160235585-A1 EYE TREATMENT NICHAMIN LOUIS D (US) 2016-08-18 US disclosed
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2016-03-17 US disclosed
US-9248126-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2016-02-02 US disclosed
US-9216174-B2 Modulators of cellular adhesion SARCODE BIOSCIENCE INC. (US) 2015-12-22 US disclosed
US-8865232-B2 Method for treating ocular Demodex TISSUETECH, INC. (US) 2014-10-21 US disclosed
US-8865232-B2 Method for treating ocular Demodex TISSUETECH, INC. (US) 2014-10-21 US disclosed
US-8865232-B2 Method for treating ocular Demodex TISSUETECH, INC. (US) 2014-10-21 US disclosed
US-20140066476-A1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC. (US) 2014-03-06 US disclosed
US-20090214676-A1 METHOD FOR TREATING OCULAR DEMODEX TISSUETECH, INC. (US) 2009-08-27 US disclosed
US-20090214676-A1 METHOD FOR TREATING OCULAR DEMODEX TISSUETECH, INC. (US) 2009-08-27 US disclosed
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION SUNESIS PHARMACEUTICALS, INC. (US) 2008-07-31 US disclosed
US-20080176896-A1 Modulators of cellular adhesion BAUSCH + LOMB IRELAND LIMITED (IE) 2008-07-24 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
US-7314938-B2 Immune and/or inflammatory disorders; autoimmune disorders; disorders mediated by the CD11/CD18 family of cellular adhesion molecules (e.g., LFA-1); antagonize CD11/CD18 receptors associated with leukocytes. SUNESIS PHARMACEUTICALS, INC. (US) 2008-01-01 US disclosed
WO-2006119174-A1 METHOD FOR TREATING OCULAR DEMODEX OCULAR SURFACE CENTER, P.A. (US) 2006-11-09 WO disclosed
US-6326006-B1 ACCELERATING BLOOD CIRCULATION, BODY WARMING AND RETENTION OF WARMTH; COMPRISES ALKYL PHTHALIDE, ALKOXY PHTHALIDE, ALKYLIDENE PHTHALIDE OR MIXTURE KAO CORPORATION (JP) 2001-12-04 US disclosed
EP-0357081-B1 Bathing preparation KAO CORP (JP) 1995-01-04 EP disclosed
EP-0357081-A2 Bathing preparation Kao Corporation (JP) 1990-03-07 EP 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 (5 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-20140066476-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885KMT2A 2960/4885KDM4E 3313/4885
US-20080176896-A1 Modulators of cellular adhesion ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885KMT2A 2960/4885KDM4E 3313/4885
US-20160074381-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 112/4885KMT2A 2960/4885KDM4E 3313/4885
US-20090214676-A1 METHOD FOR TREATING OCULAR DEMODEX THRB, THRA, LIPE ALDH1A1 217/4885KMT2A 4758/4885KDM4E 3790/4885
US-20080182839-A1 MODULATORS OF CELLULAR ADHESION ITGB1, VCAM1, ITGB8 ALDH1A1 111/4885KMT2A 2971/4885KDM4E 3330/4885

“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.