SCHEMBL196822

SCHEMBL196822

NC(=O)C=Cc1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.66
ALDH1A1 P00352 3/20 0.66
CYP1A2 P05177 2/20 0.63
HSD17B10 Q99714 1/20 0.63
MAOB P27338 3/20 0.62
MAPT P10636 5/20 0.62
CYP2D6 P10635 3/20 0.62
RAB9A P51151 3/20 0.62
HPGD P15428 3/20 0.62
NPC1 O15118 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C19 P33261 2/20 0.62
MEN1 O00255 1/20 0.62
LMNA P02545 1/20 0.62
PKM P14618 1/20 0.62
ALOX12 P18054 1/20 0.62
NFKB1 P19838 1/20 0.62
NFKB2 Q00653 1/20 0.62
KMT2A Q03164 1/20 0.62
RELA Q04206 1/20 0.62

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
SCHEMBL196821 1.00 KDM4E (0.66) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL28583726 0.89 HSD17B10 (0.76) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL11458656 0.89 HSD17B10 (0.76) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL1344559 0.89 HSD17B10 (0.76) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL11441141 0.89 HSD17B10 (0.76) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL2744431 0.86 MAOB (0.70) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL2744424 0.86 MAOB (0.70) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL4745288 0.85 KDM4E (0.81) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL4745286 0.85 KDM4E (0.81) KDM4EALDH1A1CYP1A2HSD17B10MAOB
SCHEMBL79427 0.85 KDM4E (0.81) KDM4EALDH1A1CYP1A2HSD17B10MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2012-04-19 US disclosed
US-8088818-B2 Catechol-based derivatives for treating or preventing diabetics NATIONAL TAIWAN UNIVERSITY (TW) 2012-01-03 US disclosed
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS NATIONAL TAIWAN UNIVERSITY (TW) 2011-09-15 US disclosed
US-20090143397-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS LOTUS PHARMACEUTICAL CO., LTD. (TW) 2009-06-04 US disclosed
EP-1622896-B1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS HOFFMANN LA ROCHE (CH) 2007-07-04 EP disclosed
US-7205326-B2 Aniline derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
US-7205325-B2 Oxazole derivatives HOFFMANN-LA ROCHE INC. (US) 2007-04-17 US disclosed
EP-1363925-B1 MACROLIDE ANTIBIOTICS GLAXO GROUP LTD (GB) 2006-11-15 EP disclosed
US-7122561-B2 Treatment of skin conditions BTG INTERNATIONAL LIMITED (GB) 2006-10-17 US disclosed
US-20060211636-A1 Macrolide Antibiotics ALIHODZIC SULEJMAN 2006-09-21 US disclosed
WO-2004096796-A1 NOVEL ANILINE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040209933-A1 Oxazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2004-10-21 US disclosed
WO-2004085434-A1 NOVEL OXAZOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
US-20040077557-A1 Macrolide antibiotics GLAXO GROUP LIMITED (GB) 2004-04-22 US disclosed
US-20040061142-A1 Treatment of skin conditions BTG INTERNATIONAL LIMITED 2004-04-01 US disclosed
US-6680391-B2 PIPERINE AND ANALOGUES OR DERIVATIVES FOR THE TREATMENT OF SKIN CONDITIONS TREATABLE BY STIMULATING MALENOCYTE PROLIFERATION, SUCH AS VITILGO, AND ALSO FOR SKIN CANCER BTG INTERNATIONAL LIMITED (GB) 2004-01-20 US disclosed
US-20020168369-A1 Treatment of skin conditions BTG INTERNATIONAL LIMITED 2002-11-14 US disclosed
US-6346539-B1 ADMINISTERING PIPERINE DERIVATIVE TO TREAT VITILIGO AND MELANOMA; STIMULATING MELANOCYTE PROLIFERATION; ANTICARCINOGENIC AGENTS BTG INTERNATIONAL LIMITED (GB) 2002-02-12 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 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 (7 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-20040209933-A1 Oxazole derivatives OXA1L, SULT1E1, CYP3A7 KDM4E 2258/4885ALDH1A1 24/4885CYP1A2 23/4885
US-20120094973-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A8 KDM4E 3568/4885ALDH1A1 380/4885CYP1A2 1966/4885
US-20110224260-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A8 KDM4E 3568/4885ALDH1A1 380/4885CYP1A2 1966/4885
US-20060211636-A1 Macrolide Antibiotics IL1R1, MRPL12, RPS21 KDM4E 1204/4885ALDH1A1 2549/4885CYP1A2 375/4885
US-20090143397-A1 CATECHOL-BASED DERIVATIVES FOR TREATING OR PREVENTING DIABETICS SLC5A2, SLC5A1, SLC2A3 KDM4E 3487/4885ALDH1A1 391/4885CYP1A2 1905/4885
US-20040077557-A1 Macrolide antibiotics MALT1, MRPL21, IL1R1 KDM4E 1358/4885ALDH1A1 2482/4885CYP1A2 362/4885
US-20020168369-A1 Treatment of skin conditions TYR, MC1R, MITF KDM4E 643/4885ALDH1A1 502/4885CYP1A2 1495/4885

“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.