SCHEMBL3261216

SCHEMBL3261216

CCCCCCC(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)OC(CCCCCC)(CCCCCC)C(CCCCCC)(CCCCCC)CCCCCC

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 7/20 0.41
SMPD1 P17405 5/20 0.41
FDPS P14324 11/20 0.40
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39

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
SCHEMBL5439721 0.81 GGPS1 (0.39) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL4457163 0.78 TSHR (0.57) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL16685436 0.70 TSHR (0.47) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL28571235 0.70 TSHR (0.47) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL30381193 0.70 TSHR (0.47) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL7189663 0.70 TSHR (0.47) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL8470352 0.70 TSHR (0.47) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL2122903 0.69 TSHR (0.44) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL15847082 0.69 TSHR (0.44) GGPS1SMPD1FDPSTSHRTHRB
SCHEMBL959827 0.69 TSHR (0.44) GGPS1SMPD1FDPSTSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674938-B2 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-03-09 US disclosed
US-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL CO., LTD. 2008-10-09 US disclosed
EP-1593666-B1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF KISSEI PHARMACEUTICAL (JP) 2008-07-02 EP disclosed
EP-1436263-B1 A PROCESS FOR PREPARING BETA-KETOESTER COMPOUND LG LIFE SCIENCES LTD (KR) 2007-09-19 EP disclosed
US-6987199-B2 Process for preparing beta-ketoester compound LG LIFE SCIENCES LTD. (KR) 2006-01-17 US disclosed
EP-1436263-A4 A PROCESS FOR PREPARING BETA-KETOESTER COMPOUND LG LIFE SCIENCES LTD (KR) 2005-11-02 EP disclosed
US-20040249163-A1 Process for preparing beta-ketoester compound LG CHEM, LTD. (KR) 2004-12-09 US disclosed
EP-1436263-A1 A PROCESS FOR PREPARING BETA-KETOESTER COMPOUND LG Life Sciences Ltd. (KR) 2004-07-14 EP disclosed
WO-2003033469-A1 A PROCESS FOR PREPARING BETA-KETOESTER COMPOUND LG LIFE SCIENCES LTD. (KR) 2003-04-24 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 (2 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-20080249177-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF ADRB3, ADRA2C, ADRA1A GGPS1 3290/4885SMPD1 3945/4885FDPS 4808/4885
US-20040249163-A1 Process for preparing beta-ketoester compound CYP51A1, CYP46A1, HSD17B7 GGPS1 55/4885SMPD1 1269/4885FDPS 218/4885

“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.