SCHEMBL5961009

SCHEMBL5961009

CCC(C)(C)OCCCCCC[O]

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LPAR3 Q9UBY5 3/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 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
SCHEMBL5961066 1.00 ALDH1A1 (0.35) ALDH1A1TSHRTDP1LPAR3LPAR1
SCHEMBL5961013 0.98 ALDH1A1 (0.36) ALDH1A1TSHRTDP1CYP4F2CYP4A11
SCHEMBL5961124 0.91 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL5961031 0.83
SCHEMBL5961061 0.83
SCHEMBL4819592 0.83
SCHEMBL7149797 0.82 CES2 (0.31) LPAR3LPAR1LPAR2CYP4F2CYP4A11
SCHEMBL24400073 0.81 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL8024586 0.81 LPAR3 (0.41) ALDH1A1TSHRTDP1LPAR3LPAR1
SCHEMBL20476803 0.81 LPAR3 (0.41) ALDH1A1TSHRTDP1LPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
US-6015921-A Process for producing carbamoylmethylurea derivatives SHIONOGI & CO., LTD. (JP) 2000-01-18 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed
EP-0495610-B1 Tetrahydroisoquinoline derivatives, processes for producing the same and fungicides containing the same TOSOH CORP (JP) 1997-06-18 EP disclosed
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
EP-0495610-A1 Tetrahydroisoquinoline derivatives, processes for producing the same and fungicides containing the same TOSOH CORPORATION (JP) 1992-07-22 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-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 ALDH1A1 358/4885TSHR 2648/4885TDP1 4141/4885

“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.