SCHEMBL2901286

SCHEMBL2901286

O=C(O)c1cc2c(cc1C(=O)O)C(=O)c1c(c(O)c3ccccc3c1O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.53
HPGD P15428 3/20 0.53
THRB P10828 3/20 0.53
CYP2C9 P11712 2/20 0.53
ALOX12 P18054 2/20 0.53
TSHR P16473 1/20 0.53
ATIC P31939 1/20 0.53
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
PKM P14618 2/20 0.50
HTT P42858 1/20 0.50
MCL1 Q07820 4/20 0.49
HMGB1 P09429 1/20 0.49
CXCL12 P48061 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 3/20 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
SCHEMBL13210196 0.89 TTR (0.47) HSD17B10HPGDTHRBCYP2C9ALOX12
SCHEMBL16784689 0.81 TTR (0.67) HSD17B10HPGDTHRBALOX12ALDH1A1
SCHEMBL9618861 0.79 HSD17B10 (0.74) HSD17B10HPGDTHRBCYP2C9ALOX12
SCHEMBL497005 0.78 MEN1 (0.61) HSD17B10HPGDTHRBALOX12ALDH1A1
SCHEMBL29883673 0.78 MEN1 (0.61) HSD17B10HPGDTHRBALOX12ALDH1A1
SCHEMBL2908244 0.78 MEN1 (0.47) HSD17B10HPGDTHRBALOX12ALDH1A1
SCHEMBL7160699 0.77 MEN1 (0.54) HSD17B10HPGDTHRBCYP2C9ALDH1A1
SCHEMBL9618746 0.77 HSD17B10 (0.66) HSD17B10HPGDTHRBCYP2C9ALOX12
SCHEMBL68338 0.77 TTR (0.64) THRBCYP2C9TSHRALDH1A1MAPT
SCHEMBL4835973 0.76 MAPT (0.50) HSD17B10HPGDTHRBALOX12TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9039946-B2 Reversibly thermochromic compositions BASF SE (DE) 2015-05-26 US disclosed
US-9039946-B2 Reversibly thermochromic compositions BASF SE (DE) 2015-05-26 US disclosed
US-9039946-B2 Reversibly thermochromic compositions BASF SE (DE) 2015-05-26 US disclosed
EP-1888705-B1 Reversibly thermochromic compositions BASF SE (DE) 2010-08-18 EP disclosed
US-20090302284-A1 Reversibly Thermochromic Compositions CIBA CORPORATION 2009-12-10 US disclosed
US-20090302284-A1 Reversibly Thermochromic Compositions CIBA CORPORATION 2009-12-10 US disclosed
US-20090302284-A1 Reversibly Thermochromic Compositions CIBA CORPORATION 2009-12-10 US disclosed
EP-1888705-A1 REVERSIBLY THERMOCHROMIC COMPOSITIONS Ciba Specialty Chemicals Holding, Inc. (CH) 2008-02-20 EP disclosed
WO-2006131465-A1 REVERSIBLY THERMOCHROMIC COMPOSITIONS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-12-14 WO 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-20090302284-A1 Reversibly Thermochromic Compositions DHCR7, NES, DUT HSD17B10 153/4885HPGD 928/4885THRB 2800/4885

“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.