SCHEMBL8240944

SCHEMBL8240944

CCCCOc1cc(OCCCC)c2c(c1)O[C@H](c1ccc(OCCCC)c(OCCCC)c1)[C@@H](O)C2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.56
▸ MAPK1 P28482 4/20 0.56
▸ ABCB1 P08183 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 3/20 0.40
▸ THRB P10828 1/20 0.40
▸ BACE1 P56817 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ PKM P14618 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ RECQL P46063 2/20 0.40
▸ ALPL P05186 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ PTGS1 P23219 2/20 0.40
▸ PTGS2 P35354 2/20 0.40

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
SCHEMBL8247946 1.00 CYP3A4 (0.56) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL13508832 1.00 CYP3A4 (0.56) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL15918781 1.00 CYP3A4 (0.56) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL14404263 1.00 CYP3A4 (0.56) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL13077184 1.00 CYP3A4 (0.56) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL8249233 1.00 CYP3A4 (0.56) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL13508834 1.00 CYP3A4 (0.56) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL13002360 0.92 CYP3A4 (0.62) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL14700160 0.92 CYP3A4 (0.54) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2
SCHEMBL16160606 0.91 CYP3A4 (0.53) CYP3A4MAPK1ABCB1ALDH1A1SMN1; SMN2

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
US-9556140-B2 Approach for synthesis of catechins SPHAERA PHARMA PVT. LTD. (IN) 2017-01-31 — — US disclosed
US-20160039781-A1 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS SPHAERA PHARMA PVT. LTD. (SG) 2016-02-11 — — US disclosed
US-20150368223-A1 NOVEL APPROACH FOR SYNTHESIS OF CATECHINS EPIRIUM BIO INC. 2015-12-24 — — US disclosed
US-9187448-B2 Flavonoid compounds CARDERO THERAPEUTICS, INC. (US) 2015-11-17 — — US disclosed
US-9060997-B2 Antifolate compounds for the treatment of melanoma UNIVERSIDAD DE MURCIA (ES) 2015-06-23 — — US disclosed
WO-2014162320-A2 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS SPHAERA PHARMA PVT. LTD. (IN) 2014-10-09 — — WO disclosed
US-20140256741-A1 FLAVONOID COMPOUNDS CARDERO THERAPEUTICS, INC. (US) 2014-09-11 — — US disclosed
WO-2014115174-A2 NOVEL APPROACH FOR SYNTHESIS OF CATECHINS SPHAERA PHARMA PVT. LTD. (IN) 2014-07-31 — — WO disclosed
EP-2231151-B1 ANTIFOLATE COMPOUNDS FOR THE TREATMENT OF MELANOMA UNIV MURCIA (ES) 2013-08-28 — — EP disclosed
WO-2013022846-A2 FLAVONOID COMPOUNDS CARDERO THERAPEUTICS, INC. (US) 2013-02-14 — — WO disclosed
US-20100279971-A1 ANTIFOLATE COMPOUNDS FOR THE TREATMENT OF MELANOMA UNIVERSIDAD DE MURCIA (ES) 2010-11-04 — — US disclosed
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues MARS, INCORPORATED (US) 2010-02-25 — — US disclosed
US-7268240-B2 Synthetic methods for polyphenols MARS, INC. 2007-09-11 — — US disclosed
WO-2007002877-A1 PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES MARS, INCORPORATED (US) 2007-01-04 — — 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 (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-20140256741-A1 FLAVONOID COMPOUNDS FIS1, TFAM, MFN2 CYP3A4 3740/4885MAPK1 943/4885ABCB1 3737/4885
US-20100048920-A1 Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues HAAO, TES, HPD CYP3A4 249/4885MAPK1 2235/4885ABCB1 2123/4885
US-20100279971-A1 ANTIFOLATE COMPOUNDS FOR THE TREATMENT OF MELANOMA RECQL, MTX1, RRM2B CYP3A4 1857/4885MAPK1 3173/4885ABCB1 841/4885
US-20150368223-A1 NOVEL APPROACH FOR SYNTHESIS OF CATECHINS NQO1, COMT, NNMT CYP3A4 144/4885MAPK1 2894/4885ABCB1 3359/4885
US-20160039781-A1 NOVEL ANALOGUES OF EPICATECHIN AND RELATED POLYPHENOLS PGC, TEAD3, TEAD4 CYP3A4 518/4885MAPK1 2613/4885ABCB1 2972/4885

“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.

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