SCHEMBL4116261

SCHEMBL4116261

CC1(C)OB(c2ccc3c(cnn3C3CCCCO3)c2C2CC2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.38
▸ RXRB P28702 1/20 0.38
▸ RXRG P48443 1/20 0.38
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PARG Q86W56 1/20 0.31
▸ RET P07949 1/20 0.31
▸ DGAT2 Q96PD7 1/20 0.31
▸ ATR Q13535 2/20 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
SCHEMBL26920565 0.86 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL17588940 0.86 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29734718 0.86 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL138511 0.84 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29263972 0.83 ALDH1A1 (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1141263 0.83 RXRA (0.36) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1141294 0.82 RXRA (0.38) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL29384146 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL16647245 0.81 CYP4F2 (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL1141310 0.81 RXRA (0.36) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227480-B2 Indazole derivative having spiro ring structure in side chain UBE INDUSTRIES, LTD. (JP) 2012-07-24 — — US disclosed
US-8227480-B2 Indazole derivative having spiro ring structure in side chain UBE INDUSTRIES, LTD. (JP) 2012-07-24 — — US disclosed
US-8227480-B2 Indazole derivative having spiro ring structure in side chain UBE INDUSTRIES, LTD. (JP) 2012-07-24 — — US disclosed
US-20090170887-A1 Novel indazole derivative having spiro ring structure in side chain SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 — — US disclosed
US-20090170887-A1 Novel indazole derivative having spiro ring structure in side chain SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 — — US disclosed
US-20090170887-A1 Novel indazole derivative having spiro ring structure in side chain SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-07-02 — — US disclosed
EP-2025676-A1 NOVEL INDAZOLE DERIVATIVE HAVING SPIRO RING STRUCTURE IN SIDE CHAIN Ube Industries, Ltd. (JP) 2009-02-18 — — 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 (1 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-20090170887-A1 Novel indazole derivative having spiro ring structure in side chain CIT, ROCK1, ROCK2 RXRA 2061/4885RXRB 1615/4885RXRG 2018/4885

“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