SCHEMBL3778472

SCHEMBL3778472

ICCC(I)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
IDO1 P14902 1/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
AGXT P21549 1/20 0.40
SLC6A2 P23975 2/20 0.39
SLC6A3 Q01959 2/20 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
SCHEMBL7819314 0.84 TSHR (0.41) TSHRALDH1A1IDO1SLC1A3SLC1A2
SCHEMBL10747585 0.79 TSHR (0.44) TSHRALDH1A1IDO1SLC1A3SLC1A2
SCHEMBL6800327 0.78 ALDH1A1 (0.43) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL7526436 0.76 CHRNB2 (0.51) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL23668796 0.75 ALDH1A1 (0.40) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL3778470 0.75 TSHR (0.56) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL14754591 0.75 ALDH1A1 (0.40) TSHRALDH1A1HPGDALOX15ALOX12
SCHEMBL5812823 0.74 TSHR (0.48) TSHRALDH1A1HPGDIDO1SLC1A3
SCHEMBL15039477 0.74 TSHR (0.48) TSHRALDH1A1HPGDIDO1SLC1A3
SCHEMBL2644673 0.74 TSHR (0.48) TSHRALDH1A1IDO1SLC1A3SLC1A2

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-20100323000-A1 METHOD AND PROCESS FOR PREPARING CARDIOLIPIN NEOPHARM, INC. (US) 2010-12-23 US disclosed
EP-1986607-A2 METHOD AND PROCESS FOR PREPARING CARDIOLIPIN Neopharm, Inc. (US) 2008-11-05 EP disclosed
WO-2007100808-A2 METHOD AND PROCESS FOR PREPARING CARDIOLIPIN NEOPHARM, INC. (US) 2007-09-07 WO disclosed
US-20050266068-A1 Cardiolipin molecules and methods of synthesis NEOPHARM, INC. (US) 2005-12-01 US disclosed
US-20050181037-A1 Cardiolipin compositions their methods of preparation and use NEOPHARM, INC. (US) 2005-08-18 US disclosed
EP-1556392-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS Neopharm, Inc. (US) 2005-07-27 EP disclosed
WO-2004062569-A2 CARDIOLIPIN COMPOSITIONS THEIR METHODS OF PREPARATION AND USE NEOPHARM, INC. (US) 2004-07-29 WO disclosed
WO-2004039817-A9 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM INC (US) 2004-07-22 WO disclosed
WO-2004039817-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM, INC. (US) 2004-05-13 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 (3 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-20050266068-A1 Cardiolipin molecules and methods of synthesis PHOSPHO1, MGLL, LIPA TSHR 3675/4885ALDH1A1 4029/4885HPGD 1833/4885
US-20050181037-A1 Cardiolipin compositions their methods of preparation and use LIPA, LCLAT1, PHOSPHO1 TSHR 4032/4885ALDH1A1 3662/4885HPGD 1101/4885
US-20100323000-A1 METHOD AND PROCESS FOR PREPARING CARDIOLIPIN PHOSPHO1, SGMS1, SGMS2 TSHR 2133/4885ALDH1A1 4113/4885HPGD 1374/4885

“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.