SCHEMBL4756887

SCHEMBL4756887

CCCC(=O)NCCc1c(I)[nH]c2ccc(OC)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
MTNR1A P48039 7/20 0.77
MTNR1B P49286 7/20 0.77
NQO2 P16083 4/20 0.77
TSHR P16473 2/20 0.77
CYP1A2 P05177 2/20 0.77
CYP3A4 P08684 2/20 0.77
CYP2D6 P10635 2/20 0.77
CYP2C9 P11712 2/20 0.77
CYP2C19 P33261 2/20 0.77
KDM4E B2RXH2 3/20 0.59
HSD17B10 Q99714 3/20 0.59
HPGD P15428 2/20 0.56
POLB P06746 1/20 0.56
MDM2 Q00987 1/20 0.56

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
SCHEMBL29409541 0.89 ALDH1A1 (0.80) ALDH1A1MTNR1AMTNR1BNQO2TSHR
Iodomelatonin SCHEMBL163451 0.87 MTNR1A (1.00) ALDH1A1MTNR1AMTNR1BNQO2TSHR
SCHEMBL15428085 0.84 ALDH1A1 (0.73) ALDH1A1MTNR1AMTNR1BNQO2TSHR
SCHEMBL15428094 0.84 ALDH1A1 (0.72) ALDH1A1MTNR1AMTNR1BNQO2TSHR
SCHEMBL8946919 0.82 MTNR1A (0.78) ALDH1A1MTNR1AMTNR1BNQO2TSHR
SCHEMBL18222560 0.79 MTNR1A (0.78) ALDH1A1MTNR1AMTNR1BNQO2TSHR
SCHEMBL6950433 0.78 ALDH1A1 (0.70) ALDH1A1MTNR1AMTNR1BNQO2TSHR
SCHEMBL5616635 0.77 MTNR1A (0.85) ALDH1A1MTNR1AMTNR1BNQO2CYP1A2
SCHEMBL15427780 0.76 ALDH1A1 (0.64) ALDH1A1MTNR1AMTNR1BNQO2KDM4E
SCHEMBL25969437 0.76 MTNR1A (0.64) ALDH1A1MTNR1AMTNR1BNQO2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9034798-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2015-05-19 US disclosed
US-8569481-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PHARMACEUTICALS, INC. (US) 2013-10-29 US disclosed
US-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions KOESTER HUBERT 2011-05-19 US disclosed
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-11-25 US disclosed
US-20100248264-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions HK PHARMACEUTICALS, INC. 2010-09-30 US disclosed
WO-2008083204-A2 MODULATION OF NEUROGENESIS BY MELATONINERGIC LIGANDS BRAINCELLS, INC. (US) 2008-07-10 WO disclosed
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents BRAINCELLS, INC (US) 2008-07-10 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 (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-20110118136-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions PTMS, QPCTL, SRMS ALDH1A1 4360/4885MTNR1A 4577/4885MTNR1B 4336/4885
US-20100298168-A1 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CHLSN, PTMS, SRMS ALDH1A1 4064/4885MTNR1A 4532/4885MTNR1B 4178/4885
US-20080167363-A1 Modulation of Neurogenesis By Melatoninergic Agents MTNR1A, GAP43, DCX ALDH1A1 1809/4885MTNR1A 1/4885MTNR1B 4/4885

“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.