SCHEMBL7899135

SCHEMBL7899135

O=C1CCC[C@@H](/C=C/c2c(C3CC3)nc3ccccc3c2-c2ccc(F)cc2)O1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.58
HMGCR P04035 9/20 0.53
NR1I2 O75469 1/20 0.52
NR4A2 P43354 1/20 0.52
PDE4D Q08499 1/20 0.52
PRKAA2 P54646 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
SCHEMBL247234 0.84 HMGCR (0.74) RXRAHMGCR
SCHEMBL7481306 0.84 HMGCR (0.74) RXRAHMGCR
SCHEMBL247233 0.84 HMGCR (0.74) RXRAHMGCR
SCHEMBL10049194 0.84 HMGCR (0.60) RXRAHMGCRNR1I2NR4A2PDE4D
SCHEMBL9301248 0.84 HMGCR (0.74) RXRAHMGCR
SCHEMBL7481310 0.84 HMGCR (0.74) RXRAHMGCR
SCHEMBL13349654 0.82 HMGCR (0.57) RXRAHMGCRNR1I2NR4A2PDE4D
SCHEMBL13316786 0.80 HMGCR (0.55) RXRAHMGCRNR1I2NR4A2PDE4D
SCHEMBL13980281 0.80 HMGCR (0.57) RXRAHMGCRNR1I2NR4A2PDE4D
SCHEMBL10153055 0.79 RXRA (0.62) RXRAHMGCRNR1I2NR4A2PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8487105-B2 Process for preparing pitavastatin, intermediates and pharmaceuctically acceptable salts thereof MSN LABORATORIES LIMITED (IN) 2013-07-16 US disclosed
US-8487105-B2 Process for preparing pitavastatin, intermediates and pharmaceuctically acceptable salts thereof MSN LABORATORIES LIMITED (IN) 2013-07-16 US disclosed
US-20120016129-A1 Process for Preparing Pitavastatin, Intermediates and Pharmaceuctically Acceptable Salts Thereof MSN LABORATORIES LIMITED (IN) 2012-01-19 US disclosed
WO-2010089770-A2 IMPROVED PROCESS FOR THE PREPARATION OF HIGHLY PURE (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL) QUINOLIN-3-YL]-3,5-DIHYDROXY-6(E)-HEPTENOIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MSN LABORATORIES LIMITED (IN) 2010-08-12 WO disclosed
WO-2010077062-A2 PREPARATION METHOD OF STATIN COMPOUND AND BENZOTHIAZOLYL SULFONE COMPOUND USED THEREIN HANMI PHARM. CO., LTD. (KR) 2010-07-08 WO 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-20120016129-A1 Process for Preparing Pitavastatin, Intermediates and Pharmaceuctically Acceptable Salts Thereof PCSK9, HMGCR, HDLBP RXRA 695/4885HMGCR 2/4885NR1I2 3388/4885

“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.