SCHEMBL130183

SCHEMBL130183

CCC(C)c1ccc(OC)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
ALOX12 P18054 1/20 0.48
KMT2A Q03164 1/20 0.43
TUBB1 Q9H4B7 2/20 0.42
PKM P14618 3/20 0.42
GAA P10253 2/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TOP2A P11388 1/20 0.41
TOP2B Q02880 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 1/20 0.41
TSHR P16473 1/20 0.40
HTR2A P28223 3/20 0.40

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
SCHEMBL8298141 0.85 ALDH1A1 (0.60) ALDH1A1LMNATP53MAPTALOX12
SCHEMBL29723845 0.84 ALDH1A1 (0.42) ALDH1A1LMNAMAPTKMT2ATUBB1
SCHEMBL10148388 0.81 ALDH1A1 (0.39) ALDH1A1LMNATP53MAPTALOX12
SCHEMBL2501525 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTALOX12KMT2A
SCHEMBL3465361 0.81 HTR2A (0.42) ALDH1A1MAPTGAAACHEHTR2A
SCHEMBL3465279 0.81 HTR2A (0.42) ALDH1A1MAPTGAAACHEHTR2A
SCHEMBL9963706 0.80 ALDH1A1 (0.49) ALDH1A1LMNATP53MAPTALOX12
SCHEMBL27028729 0.79 ALDH1A1 (0.47) ALDH1A1LMNAMAPTALOX12KMT2A
SCHEMBL10148393 0.79 ALDH1A1 (0.41) ALDH1A1LMNATP53MAPTALOX12
SCHEMBL24780244 0.79 ALDH1A1 (0.51) ALDH1A1LMNATP53MAPTALOX12

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
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-8030499-B2 1,3-dihydro-2H-indole-2-one compound and pyrrolidine-2-one compound fused with aromatic heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-10-04 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-20090023729-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-25 US disclosed
EP-1979331-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
EP-1979341-A1 TRISUBSTITUTED AMINE COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-15 EP disclosed
WO-2007088999-A1 TRISUBSTITUTED AMINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 WO disclosed
WO-2007088996-A1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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 (4 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB ALDH1A1 3054/4885LMNA 1103/4885TP53 4653/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB ALDH1A1 3054/4885LMNA 1103/4885TP53 4653/4885
US-20080318923-A1 1,3-Dihydro-2H-Indole-2-One Compound and Pyrrolidine-2-One Compound Fused With Aromatic Heterocycle AVPR1B, AVPR1A, AVPR2 ALDH1A1 2628/4885LMNA 3349/4885TP53 470/4885
US-20090023729-A1 Trisubstituted amine compound CETP, MTTP, APOB ALDH1A1 3188/4885LMNA 774/4885TP53 4697/4885

“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.