SCHEMBL1165573

SCHEMBL1165573

CCOC(=O)Cc1c(C)[nH]c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.68
ALDH1A1 P00352 5/20 0.68
MAPT P10636 2/20 0.68
GAA P10253 1/20 0.68
CASP1 P29466 1/20 0.68
CASP7 P55210 1/20 0.68
LMNA P02545 1/20 0.65
KLK6 Q92876 3/20 0.60
PKM P14618 1/20 0.57
HTT P42858 2/20 0.54
TSHR P16473 1/20 0.54
PRSS1 P07477 1/20 0.54
PRSS2 P07478 1/20 0.54
PRSS3 P35030 1/20 0.54
KLK7 P49862 1/20 0.54
KLK14 Q9P0G3 1/20 0.54
KLK5 Q9Y337 1/20 0.54
HSD17B10 Q99714 4/20 0.53
HPGD P15428 1/20 0.53
POLB P06746 1/20 0.53

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
SCHEMBL31487317 1.00 KDM4E (0.68) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL20037329 0.87 MAPT (0.71) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL5198795 0.87 KDM4E (0.64) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL1191332 0.86 KDM4E (0.69) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL20037042 0.86 KLK6 (0.61) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL20037245 0.86 KDM4E (0.61) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL5643293 0.86 ALDH1A1 (0.65) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL20037094 0.86 KDM4E (0.61) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL9536890 0.85 LMNA (0.62) KDM4EALDH1A1MAPTGAACASP1
SCHEMBL20037062 0.85 ALDH1A1 (0.59) KDM4EALDH1A1MAPTGAACASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018065607-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2018-04-12 WO disclosed
EP-3305781-A1 CHEMICAL SUBSTANCES WHICH INHIBIT THE ENZYMATIC ACTIVITY OF HUMAN KALLIKREIN-RELATED PEPTIDASE 6 (KLK6) Deutsches Krebsforschungszentrum (DE) 2018-04-11 EP disclosed
EP-2661433-B1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2017-08-16 EP disclosed
EP-2943493-B1 THERAPEUTIC COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES INC (US) 2017-08-02 EP disclosed
EP-2943493-B1 THERAPEUTIC COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS GILEAD SCIENCES INC (US) 2017-08-02 EP disclosed
EP-2943493-A1 THERAPEUTIC COMPOUNDS FOR THE TREATMENT OF VIRAL INFECTIONS Gilead Sciences, Inc. (US) 2015-11-18 EP disclosed
US-9085555-B2 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2015-07-21 US disclosed
US-9012441-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-04-21 US disclosed
US-9012441-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-04-21 US disclosed
US-20140221417-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-08-07 US disclosed
EP-2661433-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) Novartis AG (CH) 2013-11-13 EP disclosed
US-20120295884-A1 Complement pathway modulators and uses thereof NOVARTIS AG (CH) 2012-11-22 US disclosed
WO-2012093101-A1 INDOLE COMPOUNDS OR ANALOGUES THEREOF USEFUL FOR THE TREATMENT OF AGE-RELATED MACULAR DEGENERATION (AMD) NOVARTIS AG (CH) 2012-07-12 WO disclosed
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor NOGRA PHARMA LIMITED (IE) 2011-02-17 US disclosed
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor NOGRA PHARMA LIMITED (IE) 2011-02-17 US disclosed
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor NOGRA PHARMA LIMITED (IE) 2011-02-17 US disclosed
EP-2260020-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B Novartis AG (CH) 2010-12-15 EP disclosed
EP-2222287-A2 MULTITARGET COMPOUNDS ACTIVE AT A PPAR AND CANNABINOID RECEPTOR Giuliani International Limited (IE) 2010-09-01 EP disclosed
WO-2009118305-A1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2009-10-01 WO disclosed
WO-2009080821-A2 RECEPTOR TARGETING LIGANDS GIULIANI INTERNATIONAL LIMITED (IE) 2009-07-02 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 (3 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-20140221417-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD KDM4E 4478/4885ALDH1A1 372/4885MAPT 1618/4885
US-20120295884-A1 Complement pathway modulators and uses thereof C5, C3AR1, C9 KDM4E 4092/4885ALDH1A1 2495/4885MAPT 4024/4885
US-20110039808-A1 Multitarget Compounds Active at a PPAR and Cannabinoid Receptor PPARA, PPARG, PPARD KDM4E 1595/4885ALDH1A1 899/4885MAPT 3469/4885

“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.