SCHEMBL5337247

SCHEMBL5337247

Cc1cc(C)c2c(O)cc(=O)oc2c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
TSHR P16473 3/20 0.69
HPGD P15428 3/20 0.69
CYP3A4 P08684 2/20 0.69
HSD17B10 Q99714 2/20 0.69
CASP1 P29466 1/20 0.69
CASP7 P55210 1/20 0.69
CA9 Q16790 1/20 0.69
HTT P42858 5/20 0.63
MAPK1 P28482 3/20 0.63
GAA P10253 2/20 0.63
PPARG P37231 1/20 0.63
MAPK10 P53779 1/20 0.63
NCOA2 Q15596 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
KDM4E B2RXH2 3/20 0.58
PON1 P27169 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57

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
SCHEMBL12457526 0.93 ALDH1A1 (0.74) ALDH1A1TSHRHPGDCYP3A4HSD17B10
SCHEMBL5118377 0.85 ALDH1A1 (0.86) ALDH1A1TSHRHPGDCYP3A4HSD17B10
4,5,7-Trimethyl-2H-Chromen-2-One SCHEMBL18096558 0.84 KDM4E (0.66) ALDH1A1TSHRHPGDCYP3A4HSD17B10
5,7-Dihydroxy-4-Methylcoumarin SCHEMBL29431030 0.81 ALDH1A1 (1.00) ALDH1A1TSHRHPGDCYP3A4HSD17B10
5,7-Dihydroxy-4-Methylcoumarin SCHEMBL403833 0.81 ALDH1A1 (1.00) ALDH1A1TSHRHPGDCYP3A4HSD17B10
5,7-Dihydroxy-4-Methylcoumarin SCHEMBL4395631 0.80 ALDH1A1 (0.96) ALDH1A1TSHRHPGDCYP3A4HSD17B10
SCHEMBL5346812 0.78 ALDH1A1 (0.59) ALDH1A1TSHRHPGDCYP3A4HSD17B10
SCHEMBL11851931 0.78 ALDH1A1 (0.59) ALDH1A1TSHRHPGDCYP3A4HSD17B10
SCHEMBL5312532 0.77 ALDH1A1 (1.00) ALDH1A1TSHRHPGDCYP3A4HSD17B10
SCHEMBL12525172 0.76 ALDH1A1 (0.78) ALDH1A1TSHRHPGDCYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107382944-B Coumarin gossypol derivatives with anti-tumor activity and synthesis method thereof 陕西盘龙医药股份有限公司 2020-05-29 CN disclosed
CN-107382944-A One kind has the cumarin gossypol derivative and its synthetic method of antitumor activity 陕西科技大学 2017-11-24 CN disclosed
US-9758503-B1 Coumarin-gossypol derivatives with antitumor activities and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-09-12 US disclosed
US-9758503-B1 Coumarin-gossypol derivatives with antitumor activities and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-09-12 US disclosed
US-9758503-B1 Coumarin-gossypol derivatives with antitumor activities and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2017-09-12 US disclosed
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 US disclosed
US-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2008-06-26 US disclosed
US-7208518-B2 Substituted furochromene compounds of antiinflammatory action GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-04-24 US disclosed
US-20060148890-A1 Substituted furochromene compounds of antiinflammatory action PLIVA-LSTRAZIVACKI INSTITUT D.O.O. (HR) 2006-07-06 US disclosed
EP-1648901-A1 SUBSTITUTED FUROCHROMENE COMPOUNDS OF ANTIINFLAMMATORY ACTION PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-04-26 EP disclosed
WO-2005010006-A1 SUBSTITUTED FUROCHROMENE COMPOUNDS OF ANTIINFLAMMATORY ACTION PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-02-03 WO disclosed
US-4288450-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed
US-4216155-A 3-GLYCOLOYLAMINO-4-OXO-4H-1-BENZOPYRAN; ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-08-05 US disclosed
EP-0000488-A1 3-Oxaloamino-4-oxo-4H-1-benzopyrane compounds, process for their preparation and their pharmaceutical use CIBA-GEIGY AG (CH) 1979-02-07 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 (2 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-20080153872-A1 Bis-(Coumarin) Compounds With Anti-Inflammatory Activity NOD1, NOD2, CASP1 ALDH1A1 2298/4885TSHR 4610/4885HPGD 522/4885
US-20060148890-A1 Substituted furochromene compounds of antiinflammatory action LTC4S, CYP11B2, CYP11B1 ALDH1A1 550/4885TSHR 4131/4885HPGD 103/4885

“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.