SCHEMBL18469728

SCHEMBL18469728

COc1c(Cl)ccc(CO)c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 1/20 0.40
MEP1B Q16820 1/20 0.39
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
TAS1R3 Q7RTX0 3/20 0.31
TAS1R1 Q7RTX1 3/20 0.31
HTR1A P08908 1/20 0.31
HTR1D P28221 1/20 0.31
HTR2C P28335 1/20 0.31
HTR7 P34969 1/20 0.31
HTR5A P47898 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL14200089 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10MEP1BTSHR
SCHEMBL18254202 0.77 TP53 (0.33) CYP2C9
SCHEMBL22380035 0.75 MEP1B (0.32) MEP1B
SCHEMBL14200084 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL27471219 0.71 MEP1B (0.43) ALDH1A1KDM4EHSD17B10MEP1BTSHR
SCHEMBL24012479 0.71 PNMT (0.38) CYP1A2
SCHEMBL3328387 0.71 KMT2A (0.40) ALDH1A1KDM4EHSD17B10TSHRMAPT
SCHEMBL24655961 0.70 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTHTR1AGAA
SCHEMBL11793769 0.70 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10MEP1BTSHR
SCHEMBL13547949 0.69 MEP1B (0.48) ALDH1A1KDM4EHSD17B10MEP1BTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988369-B2 Heterocyclic triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2018-06-05 US disclosed
US-9868721-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2018-01-16 US disclosed
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-11-09 US disclosed
US-20170281625-A1 METHODS OF TREATING HEART FAILURE AMGEN INC. 2017-10-05 US disclosed
US-9745286-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-08-29 US disclosed
US-9656997-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-05-23 US disclosed
US-9656998-B2 Intermediates for preparing triazole agonists of the APJ receptor AMGEN INC. (US) 2017-05-23 US disclosed
US-9573936-B2 Triazole agonists of the APJ receptor AMGEN INC. (US) 2017-02-21 US disclosed
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-16 US disclosed
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC. 2017-02-09 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-20170042871-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-20170042872-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-20170037026-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885
US-20170281625-A1 METHODS OF TREATING HEART FAILURE FABP3, TNNI3, APLNR ALDH1A1 3046/4885KDM4E 4489/4885HSD17B10 1507/4885
US-20170320860-A1 HETEROCYCLIC TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, APLNR, AGTR1 ALDH1A1 2192/4885KDM4E 4587/4885HSD17B10 1912/4885
US-20170042897-A1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, AGTR2 ALDH1A1 1773/4885KDM4E 4515/4885HSD17B10 1758/4885

“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.