SCHEMBL4615608

SCHEMBL4615608

CC(C)(C)Oc1ccc(O)c(N)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
GAA P10253 8/20 0.60
MAPT P10636 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
THRB P10828 3/20 0.60
RECQL P46063 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
KDM4E B2RXH2 2/20 0.60
BLM P54132 1/20 0.60
MCL1 Q07820 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
PKM P14618 2/20 0.52
HSD17B10 Q99714 5/20 0.47
ALOX15 P16050 4/20 0.47
ALOX12 P18054 3/20 0.42
HTT P42858 2/20 0.42
HIF1A Q16665 1/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 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
SCHEMBL1052285 0.81 ALDH1A1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL28685254 0.81 NR4A1 (0.56) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL31286071 0.80 ALDH1A1 (0.55) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL1024889 0.80 ALDH1A1 (0.55) ALDH1A1GAAMAPTMEN1KMT2A
Boric Acid SCHEMBL28096470 0.79 ALDH1A1 (0.50) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL7887616 0.78 ESR1 (0.52) ALDH1A1MAPTKDM4ETDP1PKM
SCHEMBL31376356 0.78 TMEM97 (0.40) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL20215002 0.78 ALDH1A1 (0.46) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL30623356 0.77 ALDH1A1 (0.52) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL6938751 0.77 ALDH1A1 (0.52) ALDH1A1GAAMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100593541-C Benzopyran derivatives substituted with a thioxobenzoxazole derivative, their pharmaceutically acceptable salts, their preparation and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO LTD 2010-03-10 CN disclosed
US-7420060-B2 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them SCHAEFFLER KG (DE) 2008-09-02 US disclosed
EP-1626968-A4 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH A THIOXOBENZOXAZOLE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO LTD (KR) 2008-03-05 EP disclosed
US-20070093481-A1 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containingthem DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2007-04-26 US disclosed
CN-1795192-A Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO LTD (KR) 2006-06-28 CN disclosed
EP-1626968-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH A THIOXOBENZOXAZOLE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dongbu Hannong Chemical Co., Ltd. (KR) 2006-02-22 EP disclosed
WO-2004106331-A1 BENZOPYRAN DERIVATIVES SUBSTITUTED WITH A THIOXOBENZOXAZOLE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DONGBU HANNONG CHEMICAL CO., LTD (KR) 2004-12-09 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-20070093481-A1 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containingthem TNNT2, TNNI3, BRIX1 ALDH1A1 436/4885GAA 1748/4885MAPT 1409/4885

“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.