SCHEMBL4742997

SCHEMBL4742997

CCOC(=O)c1ccccc1-c1ccc(C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
SLC6A3 Q01959 4/20 0.50
ALDH1A1 P00352 4/20 0.50
SCN1A P35498 3/20 0.50
SCN2A Q99250 3/20 0.50
SCN3A Q9NY46 3/20 0.50
SLC6A4 P31645 3/20 0.50
HSD17B10 Q99714 1/20 0.50
ERN1 O75460 1/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 2/20 0.47
USP2 O75604 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK10 P53779 1/20 0.47
PTK2B Q14289 1/20 0.47

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
SCHEMBL7441914 0.85 ALDH1A1 (0.61) TSHRSLC6A3ALDH1A1SCN1ASCN2A
SCHEMBL3230316 0.84 TSHR (0.65) TSHRSLC6A3ALDH1A1SCN1ASCN2A
SCHEMBL27686802 0.84 TSHR (0.65) TSHRSLC6A3ALDH1A1SCN1ASCN2A
SCHEMBL29500171 0.84 TSHR (0.65) TSHRSLC6A3ALDH1A1SCN1ASCN2A
SCHEMBL396552 0.84 TSHR (0.69) TSHRALDH1A1SCN1ASCN2ASCN3A
SCHEMBL29978969 0.83 SLC6A3 (0.71) TSHRSLC6A3ALDH1A1SLC6A4HSD17B10
SCHEMBL6797969 0.83 SLC6A3 (0.71) TSHRSLC6A3ALDH1A1SLC6A4HSD17B10
SCHEMBL8606461 0.83 TSHR (0.62) TSHRSLC6A3ALDH1A1SCN1ASCN2A
SCHEMBL1665510 0.83 TSHR (0.61) TSHRALDH1A1SCN1ASCN2ASCN3A
Bicarbonate SCHEMBL27449726 0.83 TSHR (0.67) TSHRALDH1A1SCN1ASCN2ASCN3A

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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 US disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 WO disclosed
WO-2008100423-A1 GUT MICROSOMAL TRIGLYCERIDE TRANSPORT PROTEIN INHIBITORS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-08-21 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 TSHR 1621/4885SLC6A3 1009/4885ALDH1A1 983/4885

“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.