SCHEMBL1141310

SCHEMBL1141310

CCCOc1c(B2OC(C)(C)C(C)(C)O2)ccc2c1cnn2C1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ CYP4F2 P78329 6/20 0.33
▸ CYP4A11 Q02928 6/20 0.33
▸ ATR Q13535 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL1141294 0.93 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1141358 0.86 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1141263 0.86 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1141337 0.82 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL17588940 0.81 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL26920565 0.81 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29734718 0.81 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL4116261 0.81 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL138511 0.79 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29263972 0.78 ALDH1A1 (0.37) RXRARXRBRXRGCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2468729-B1 Novel indazole derivative UBE INDUSTRIES (JP) 2013-12-25 — — EP disclosed
EP-1679308-B1 NOVEL INDAZOLE DERIVATIVE UBE INDUSTRIES (JP) 2013-07-24 — — EP disclosed
US-8232308-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2012-07-31 — — US disclosed
EP-2468729-A1 Novel indazole derivative UBE INDUSTRIES, LTD. (JP) 2012-06-27 — — EP disclosed
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2011-02-17 — — US disclosed
US-7855222-B2 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2010-12-21 — — US disclosed
US-20090264468-A1 Methods for treating a disease in which Rho kinase is involved UBE INDUSTRIES, LTD. (JP) 2009-10-22 — — US disclosed
US-7563906-B2 Indazole derivatives UBE INDUSTRIES, LTD. (JP) 2009-07-21 — — US disclosed
US-20070129404-A1 Novel indazole derivatives UBE INDUSTRIES, LTD. (JP) 2007-06-07 — — US disclosed
EP-1679308-A1 NOVEL INDAZOLE DERIVATIVE Ube Industries, Ltd. (JP) 2006-07-12 — — EP 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-20090264468-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, RHOT2 RXRA 1731/4885RXRB 1376/4885RXRG 1908/4885
US-20070129404-A1 Novel indazole derivatives CIT, ROCK1, ROCK2 RXRA 1666/4885RXRB 1202/4885RXRG 1675/4885
US-20110039891-A1 Methods for treating a disease in which Rho kinase is involved RHOA, ROCK1, ROCK2 RXRA 1902/4885RXRB 1569/4885RXRG 2088/4885

“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.

Send feedback