SCHEMBL3479749

SCHEMBL3479749

O=C(O)COc1cccc2c1CCCC2

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRB P28702 9/20 0.66
RXRA P19793 9/20 0.66
RXRG P48443 6/20 0.66
MRGPRX4 Q96LA9 1/20 0.56
CD69 Q07108 1/20 0.51
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
PTGIR P43119 5/20 0.49
PTGER1 P34995 1/20 0.49
PTGER3 P43115 1/20 0.49
PTGDR Q13258 1/20 0.49
MCL1 Q07820 1/20 0.49

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
SCHEMBL28548896 0.98 RXRB (0.64) RXRBRXRARXRGMRGPRX4CD69
SCHEMBL13768229 0.86 RXRA (0.57) RXRBRXRARXRGMRGPRX4HSD17B10
SCHEMBL19582253 0.83 RXRB (0.48) RXRBRXRARXRGCD69HSD17B10
SCHEMBL8546134 0.83 RXRA (0.54) RXRBRXRARXRGMRGPRX4TSHR
SCHEMBL19599364 0.82 ADRA2A (0.60) RXRBRXRARXRG
SCHEMBL2876699 0.81 RXRA (0.54) RXRBRXRARXRGMRGPRX4TSHR
SCHEMBL28550871 0.80 MRGPRX4 (0.60) RXRBRXRARXRGMRGPRX4TSHR
SCHEMBL5508804 0.80 RXRA (0.54) RXRBRXRARXRGMRGPRX4KDM4E
SCHEMBL3478697 0.80 RXRA (0.51) RXRBRXRARXRGMRGPRX4TSHR
SCHEMBL9719997 0.79 RXRA (0.55) RXRBRXRARXRGMRGPRX4MCL1

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 7 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-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE BOUILLOT ANNE MARIE JEANNE 2010-05-13 US disclosed
US-20100041714-A1 BI-ARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
WO-2010018113-A2 BI-ARYL AMINOTETRALINES F. HOFFMANN-LA ROCHE AG (CH) 2010-02-18 WO disclosed
US-20100041760-A1 MONOARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
US-4310512-A Derivatives of acetic and propionic acids, compositions containing same and use as malodor counteractants BUSH BOAKE ALLEN INC. (US) 1982-01-12 US disclosed
US-4195093-A DIURETIC AND URICOSURIC AGENTS ALBERT ROLLAND S.A. (FR) 1980-03-25 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 (3 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 RXRB 1535/4885RXRA 1767/4885RXRG 1530/4885
US-20100041714-A1 BI-ARYL AMINOTETRALINES HRH4, HRH2, HRH1 RXRB 471/4885RXRA 804/4885RXRG 678/4885
US-20100120669-A1 THIADIAZOLE DERIVATIVES, INHIBITORS OF STEAROYL-COA DESATURASE SCD, SCD5, FADS2 RXRB 2199/4885RXRA 2659/4885RXRG 2418/4885

“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.