SCHEMBL4124580

SCHEMBL4124580

Brc1ccc2c(cnn2C2CCCCO2)c1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
CYP4F2 P78329 5/20 0.36
CYP4A11 Q02928 5/20 0.36
RET P07949 3/20 0.35
ATR Q13535 5/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE10A Q9Y233 1/20 0.32
MEN1 O00255 1/20 0.31
PDE9A O76083 1/20 0.31
CYP2C19 P33261 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
SCHEMBL21202181 0.85 ALDH1A1 (0.44) RXRARXRBRXRGALDH1A1POLB
SCHEMBL31105959 0.84 ALDH1A1 (0.45) RXRARXRBRXRGALDH1A1POLB
SCHEMBL1141295 0.84 RXRA (0.46) RXRARXRBRXRGALDH1A1POLB
SCHEMBL767423 0.84 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL767841 0.84 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL768120 0.84 RXRA (0.43) RXRARXRBRXRGALDH1A1POLB
SCHEMBL156398 0.81 RXRA (0.42) RXRARXRBRXRGALDH1A1POLB
SCHEMBL29416187 0.81 RXRA (0.42) RXRARXRBRXRGALDH1A1POLB
SCHEMBL15266324 0.81 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB
SCHEMBL15266343 0.81 RXRA (0.41) RXRARXRBRXRGALDH1A1POLB

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-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
CN-101460477-A Novel indazole derivative having spiro ring structure in side chain UBE INDUSTRIES (JP) 2009-06-17 CN disclosed
EP-2025676-A1 NOVEL INDAZOLE DERIVATIVE HAVING SPIRO RING STRUCTURE IN SIDE CHAIN Ube Industries, Ltd. (JP) 2009-02-18 EP 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.