SCHEMBL21376419

SCHEMBL21376419

COc1ccc(-c2ccccc2)cc1C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 1/20 0.57
RARB P10826 1/20 0.57
RARG P13631 1/20 0.57
HTR2C P28335 1/20 0.46
HPGD P15428 5/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
LMNA P02545 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACLY P53396 1/20 0.43

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
SCHEMBL10352726 0.90 RARA (0.61) RARARARBRARGHPGDKDM4E
SCHEMBL28744670 0.84 ABCB1 (0.50) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL28115368 0.84 GAA (0.56) RARARARBRARGHPGDALDH1A1
SCHEMBL380317 0.82 RARA (0.41) RARARARBRARGHTR2CHPGD
SCHEMBL14580105 0.80 RARA (0.60) RARARARBRARGHPGDMAPT
SCHEMBL2535026 0.80 RARB (0.43) RARARARBRARGMAPTKMT2A
SCHEMBL25602482 0.78 RARA (0.58) RARARARBRARGALDH1A1MAPT
SCHEMBL4533772 0.78 L3MBTL1 (0.62) HPGDKDM4EALDH1A1MAPTKMT2A
SCHEMBL27991629 0.78 RXRA (0.42) RARBRARGHPGDKDM4EALDH1A1
SCHEMBL9077062 0.77 RARA (0.56) RARARARBRARGHPGDKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AMGEN INC. (US) 2021-06-29 US disclosed
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-02-02 US disclosed
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-19 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 (4 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-20190284173-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R RARA 540/4885RARB 582/4885RARG 511/4885
US-11046680-B1 Heteroaryl-substituted triazoles as APJ receptor agonists AGTR1, AGTR2, TBXA2R RARA 654/4885RARB 717/4885RARG 612/4885
US-10906890-B2 Triazole phenyl compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R RARA 540/4885RARB 582/4885RARG 511/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 RARA 4240/4885RARB 3645/4885RARG 4198/4885

“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.