SCHEMBL16632275

SCHEMBL16632275

CCCCn1c(-c2ccc3ccccc3c2)cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 2/20 0.45
TLR8 Q9NR97 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR2 P34972 3/20 0.42
BACE1 P56817 2/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.41
PGR P06401 1/20 0.40
RORA P35398 1/20 0.40
RORC P51449 1/20 0.40
RORB Q92753 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PTGS2 P35354 1/20 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
SCHEMBL4854120 0.94 CNR2 (0.45) ALDH1A1MTNR1AMTNR1BKDM4ETLR8
SCHEMBL27547723 0.87 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKDM4ETLR8
SCHEMBL9416226 0.86 ALDH1A1 (0.61) ALDH1A1MTNR1AMTNR1BKDM4ETLR8
SCHEMBL28404354 0.86 ALDH1A1 (0.45) ALDH1A1MTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL11659560 0.85 ALDH1A1 (0.50) ALDH1A1MTNR1AMTNR1BKDM4ETLR8
SCHEMBL9168453 0.85 HTR1D (0.50) ALDH1A1MTNR1AMTNR1BL3MBTL1TSHR
SCHEMBL11657927 0.85 GRIK1 (0.54) ALDH1A1MTNR1AMTNR1BKDM4EL3MBTL1
SCHEMBL11659369 0.84 PTGS2 (0.56) ALDH1A1MTNR1AMTNR1BKDM4ETLR8
SCHEMBL11663572 0.82 ALDH1A1 (0.60) ALDH1A1MTNR1AMTNR1BKDM4ETLR8
SCHEMBL11664571 0.81 ALDH1A1 (0.58) ALDH1A1MTNR1AMTNR1BKDM4ETLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206124-B2 Treatment of drug-resistant cancer with 2-aryl-2-(3-indolyl) acetohydroxamates NEW MEXICO TECHNICAL RESEARCH FOUNDATION (US) 2015-12-08 US disclosed
US-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES NEW MEXICO TECH UNIVERSITY RESEARCH PARK CORPORATION 2015-04-16 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 (1 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-20150105439-A1 TREATMENT OF DRUG-RESISTANT CANCER WITH 2-ARYL-2-(3-INDOLYL) ACETOHYDROXAMATES AADAC, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, ABCC1 ALDH1A1 443/4885MTNR1A 3284/4885MTNR1B 3626/4885

“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.