SCHEMBL20183047

SCHEMBL20183047

CCOc1ccc(CNCc2ccc(OC)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
TP53 P04637 2/20 0.59
POLB P06746 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
CHRM2 P08172 1/20 0.58
LMNA P02545 1/20 0.56
NQO1 P15559 1/20 0.54
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
BCHE P06276 1/20 0.53
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL121529 0.88 CHRM2 (0.70) ALDH1A1POLBCHRM2GAAKDM4E
Hydrochloric Acid SCHEMBL9479560 0.86 CHRM2 (0.68) ALDH1A1POLBCHRM2GAAKDM4E
Hydrochloric Acid SCHEMBL2147064 0.86 CHRM2 (0.68) ALDH1A1POLBCHRM2GAAKDM4E
1-Methoxy-4-Ethoxybenzene SCHEMBL354674 0.83 NQO1 (0.78) ALDH1A1TDP1NQO1GAAMAPT
SCHEMBL20767219 0.83 LMNA (0.63) ALDH1A1TP53POLBTDP1MEN1
SCHEMBL22305119 0.82 CHRM2 (0.63) ALDH1A1POLBCHRM2GAAKDM4E
SCHEMBL11671912 0.82 LTA4H (0.63) ALDH1A1TDP1LMNANQO1GAA
SCHEMBL2029638 0.82 CHRM2 (0.63) ALDH1A1POLBMEN1KMT2ACHRM2
SCHEMBL11922725 0.81 KMT2A (0.58) ALDH1A1TP53POLBTDP1MEN1
SCHEMBL1279045 0.80 HTT (0.73) ALDH1A1POLBMEN1KMT2ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor AMGEN INC. (US) 2023-11-07 US disclosed
WO-2018097944-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-31 WO disclosed
WO-2018093576-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 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 (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-11807624-B2 Substituted pyrimidinones as agonists of the APJ receptor APLNR, AGTR1, AGTR2 ALDH1A1 1619/4885TP53 4704/4885POLB 2573/4885

“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.