SCHEMBL7673174

SCHEMBL7673174

CC(C)CN(CCCC=O)CC(C)C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.39
TSHR P16473 2/20 0.39
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ADH1B P00325 1/20 0.31
ADH1C P00326 1/20 0.31
ADH1A P07327 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL7670484 0.93 TSHR (0.39) HIF1ATSHRCYP1A2MAPK1FAAH
SCHEMBL7673096 0.86 CYP1A2 (0.36) HIF1ATSHRCYP1A2MAPK1CA12
SCHEMBL8390562 0.77 TSHR (0.39) TSHRCYP1A2MAPK1ALDH1A1
SCHEMBL15015862 0.77 CYP1A2 (0.43) TSHRCYP1A2MAPK1CA12CA1
SCHEMBL15015968 0.77 CYP1A2 (0.43) TSHRCYP1A2MAPK1CA12CA1
SCHEMBL29956786 0.76 ALDH1A1 (0.35) TSHRCYP1A2MAPK1CA12CA1
SCHEMBL10706034 0.75 ALDH1A1 (0.42) TSHRCYP1A2MAPK1CA12CA1
SCHEMBL30918391 0.74 HIF1A (0.41) HIF1ATSHRFAAHTRPV1CA12
SCHEMBL4728852 0.73 TSHR (0.50) HIF1ATSHRMAPK1FAAHTRPV1
SCHEMBL231303 0.72

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-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
WO-2008112156-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS (US) 2008-09-18 WO disclosed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US disclosed
EP-1001943-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2000-05-24 EP disclosed
WO-1999003843-A1 POLYHYDROXYALKYLPYRAZINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1999-01-28 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-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HIF1A 644/4885TSHR 2114/4885CYP1A2 3344/4885

“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.