SCHEMBL8102327

SCHEMBL8102327

CCCCCc1cccc(C(=O)Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.53
LIPG Q9Y5X9 2/20 0.53
PPARA Q07869 5/20 0.51
PPARG P37231 4/20 0.51
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
SPHK2 Q9NRA0 1/20 0.51
SPHK1 Q9NYA1 1/20 0.51
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
MAP1LC3B Q9GZQ8 1/20 0.46
MAP1LC3A Q9H492 1/20 0.46

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
SCHEMBL8087274 0.98 LPL (0.54) LPLLIPGPPARAPPARGCYP4F2
SCHEMBL8102302 0.98 LPL (0.54) LPLLIPGPPARAPPARGCYP4F2
SCHEMBL8094372 0.98 LPL (0.54) LPLLIPGPPARAPPARGCYP4F2
SCHEMBL8087128 0.95 CYP4F2 (0.51) LPLLIPGPPARAPPARGCYP4F2
SCHEMBL3892580 0.88 KAT6A (0.50) CYP4F2CYP4A11MAP1LC3BMAP1LC3A
Hexane SCHEMBL5195484 0.86 SMN1; SMN2 (0.55) THRB
SCHEMBL443913 0.85 RARB (0.58) LPLLIPGPPARAPPARG
SCHEMBL8095894 0.85 LPL (0.54) LPLLIPGPPARAPPARGCYP4F2
SCHEMBL755940 0.85 LPL (0.54) LPLLIPGPPARAPPARGCYP4F2
SCHEMBL289254 0.83 RARB (0.59) LPLLIPGPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422231-B2 Method for inhibiting Trypanosoma cruzi HOWARD UNIVERSITY (US) 2016-08-23 US disclosed
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI HOWARD UNIVERRSITY (US) 2015-03-12 US disclosed
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY 2014-11-13 US disclosed
WO-2013074930-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY (US) 2013-05-23 WO disclosed
WO-2013016661-A1 METHOD FOR INHIBITING TRYPANSOMA CRUZI HOWARD UNIVERSITY (US) 2013-01-31 WO disclosed
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed
US-5290950-A Containing chromophore and ionophore groups, complexing metals, analysis of body fluids WAYNE STATE UNIVERSITY (US) 1994-03-01 US disclosed
US-5096832-A Complexing, spectrophotometry WAYNE STATE UNIVERSITY (US) 1992-03-17 US 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 (2 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-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS LSS, CYP51A1, NQO1 LPL 1161/4885LIPG 1476/4885PPARA 2105/4885
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI PCNA, NQO1, NQO2 LPL 3389/4885LIPG 3434/4885PPARA 2372/4885

“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.