SCHEMBL3478697

SCHEMBL3478697

CC(C)(C)OC(=O)COc1cccc2c1CCCC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.51
RXRB P28702 9/20 0.51
RXRG P48443 6/20 0.51
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
SSTR4 P31391 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
POLB P06746 1/20 0.46
PRMT5 O14744 1/20 0.43
CASP1 P29466 1/20 0.43
CASP3 P42574 1/20 0.43
CASP7 P55210 1/20 0.43
CASP6 P55212 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
SCHEMBL8546134 0.85 RXRA (0.54) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL14119936 0.83 TSHR (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL2876699 0.82 RXRA (0.54) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL5508804 0.82 RXRA (0.54) RXRARXRBRXRGKDM4ESSTR4
SCHEMBL13768229 0.81 RXRA (0.57) RXRARXRBRXRGKDM4EALDH1A1
SCHEMBL1852884 0.81 DDB1 (0.47) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL1847055 0.81 TSHR (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL3479749 0.80 RXRB (0.66) RXRARXRBRXRGKDM4EHSD17B10
SCHEMBL14120749 0.79 ACHE (0.45) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9791358 0.79 RXRA (0.45) RXRARXRBRXRGALDH1A1SSTR4

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-8163781-B2 Bi-aryl aminotetralines HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
US-20100041714-A1 BI-ARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
US-20100041760-A1 MONOARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 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 (2 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-20100041760-A1 MONOARYL AMINOTETRALINES HRH1, HRH4, HRH2 RXRA 1767/4885RXRB 1535/4885RXRG 1530/4885
US-20100041714-A1 BI-ARYL AMINOTETRALINES HRH4, HRH2, HRH1 RXRA 804/4885RXRB 471/4885RXRG 678/4885

“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.