SCHEMBL1781653

SCHEMBL1781653

Cc1[nH]c2ccccc2c1CC=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
CYP3A4 P08684 1/20 0.59
ALDH1A1 P00352 3/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
HTT P42858 2/20 0.57
TSHR P16473 1/20 0.57
POLB P06746 2/20 0.56
HTR6 P50406 1/20 0.54
SLC2A1 P11166 1/20 0.54
PABPC1 P11940 1/20 0.51
ALOX15 P16050 1/20 0.51
AHR P35869 1/20 0.50
KRAS P01116 1/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MITF O75030 1/20 0.49

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
SCHEMBL29953891 1.00 MAPT (0.59) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL7838197 0.83 ALDH1A1 (0.63) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL6402986 0.82 MAPT (0.59) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL18383120 0.79 MAPT (0.69) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL5460837 0.79 ALDH1A1 (0.44) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL28115779 0.78 KDM4E (0.42) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL28283806 0.77 CNR1 (0.55)
SCHEMBL669111 0.77 HTT (0.73) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL12355450 0.77 CHRNB2 (0.60) MAPTCYP3A4ALDH1A1KDM4EGAA
SCHEMBL20299611 0.77 KEAP1 (0.47) MAPTALDH1A1KDM4EGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
US-20230070370-A1 PROCESS FOR THE PREPARATION OF PANOBINOSTAT FLAMMA SPA (IT) 2023-03-09 US disclosed
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-10-27 US disclosed
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.C.A.R.L. COLLEZIONE NAZIONALE DEI COMPOSTI CHIMICI E CENTRO SCREENING (IT) 2020-03-26 US disclosed
EP-3558980-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION C.N.C.C.S. S.c.a.r.l. Collezione Nazionale Dei Composti Chimici e Centro Screening (IT) 2019-10-30 EP disclosed
CN-109106713-A Indole-3-carbinol, di-indole methyl hydride and its derivative are preparing the application in treating organs graft-rejection drug 黄冈昌耀电力器材有限公司 2019-01-01 CN disclosed
WO-2018115275-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION IRBM SCIENCE PARK S.P.A. (IT) 2018-06-28 WO disclosed
CN-106344563-A Application of indole-3-carbinol and diindolylmethane and derivatives thereof in preparation of medicines for treating lupus erythematosus 安徽四正医药科技有限公司 2017-01-25 CN disclosed
CN-106344564-A Application of indole-3-carbinol and diindolylmethane and derivatives thereof in preparation of medicines for treating hair follicle keratosis 安徽四正医药科技有限公司 2017-01-25 CN disclosed
EP-2260020-B1 HYDROXAMATE-BASED INHIBITORS OF DEACETYLASES B NOVARTIS AG (CH) 2014-07-23 EP disclosed
US-20090076029-A1 Compounds and Methods for Treating Obesity PALATIN TECHNOLOGIES, INC. (US) 2009-03-19 US disclosed
US-7456184-B2 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES INC. (US) 2008-11-25 US disclosed
US-20080234289-A1 Melanocortin Receptor-Specific Compounds PALATIN TECHNOLOGIES, INC. (US) 2008-09-25 US disclosed
EP-1622618-A4 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES INC (US) 2008-08-27 EP disclosed
WO-2008076954-A2 HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076954-A2 HETEROCYCLE COMPOUNDS AND METHODS OF USE THEREOF NOVARTIS AG (CH) 2008-06-26 WO disclosed
CN-1816337-A Naphthalene-containing melanocortin receptor-specific small molecule PALATIN TECHNOLOGIES INC (US) 2006-08-09 CN disclosed
EP-1622618-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS Palatin Technologies, Inc. (US) 2006-02-08 EP disclosed
WO-2004098602-A1 MELANOCORTIN RECEPTOR-SPECIFIC COMPOUNDS PALATIN TECHNOLOGIES, INC. (US) 2004-11-18 WO disclosed
US-20040224957-A1 Melanocortin receptor-specific compounds PALATIN TECHNOLOGIES, INC. (US) 2004-11-11 US 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 (6 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-20090076029-A1 Compounds and Methods for Treating Obesity MC4R, MC3R, MC1R MAPT 3703/4885CYP3A4 3608/4885ALDH1A1 1607/4885
US-10815222-B2 Compounds for use in the treatment of kinetoplastid infection NISCH, TK2, FDPS MAPT 4584/4885CYP3A4 1775/4885ALDH1A1 1658/4885
US-20080234289-A1 Melanocortin Receptor-Specific Compounds MC1R, MC3R, MC5R MAPT 1287/4885CYP3A4 2965/4885ALDH1A1 4174/4885
US-20200095232-A1 COMPOUNDS FOR USE IN THE TREATMENT OF KINETOPLASTID INFECTION NISCH, TK2, FDPS MAPT 4584/4885CYP3A4 1775/4885ALDH1A1 1658/4885
US-20040224957-A1 Melanocortin receptor-specific compounds MC1R, MC5R, MC3R MAPT 1523/4885CYP3A4 2117/4885ALDH1A1 3502/4885
US-20230070370-A1 PROCESS FOR THE PREPARATION OF PANOBINOSTAT HDAC3, PTMA, EZH2 MAPT 4246/4885CYP3A4 52/4885ALDH1A1 1171/4885

“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.