SCHEMBL1081182

SCHEMBL1081182

CCCCCCCC/C=C\CCCCCCCCOCC(COP)OCCCCCCCC/C=C\CCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.53
▸ CNR1 P21554 1/20 0.53
▸ CNR2 P34972 1/20 0.53
▸ LPAR1 Q92633 6/20 0.51
▸ LPAR3 Q9UBY5 6/20 0.51
▸ LPAR2 Q9HBW0 1/20 0.50

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
SCHEMBL9718643 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL3257919 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL9718660 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL4199161 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL2782935 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL9718817 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL9456741 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL2782946 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL4094364 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3
SCHEMBL4094354 0.92 ALDH1A1 (0.60) ALDH1A1CNR1CNR2LPAR1LPAR3

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067432-B2 Liposomal, ring-opened camptothecins with prolonged, site-specific delivery of active drug to solid tumors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-11-29 — — US claimed
US-20100221315-A1 VESICULAR FORMULATIONS CONTAINING ORGANIC ACID PRODRUGS, PROCESS FOR THEIR PREPARATION UNIVERSIDADE DE LISBOA (PT) 2010-09-02 — — US claimed
US-20090246268-A1 LIPOSOMAL, RING-OPENED CAMPTOTHECINS WITH PROLONGED, SITE-SPECIFIC DELIVERY OF ACTIVE DRUG TO SOLID TUMORS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2009-10-01 — — US claimed
EP-1257197-A4 METHOD FOR TRANSDERMAL SAMPLING OF ANALYTES HEALTH RESEARCH INC (US) 2008-07-16 — — EP claimed
US-20080131497-A1 Formulations of DNase and Methods of Use Thereof TRANSAVE, INC. 2008-06-05 — — US claimed
WO-2008039989-A2 FORMULATIONS OF DNASE AND METHODS OF USE THEREOF TRANSAVE, INC. (US) 2008-04-03 — — WO claimed
EP-1819715-A2 SYNTHESIS OF CARDIOLIPIN ANALOGUES AND USES THEREOF Neopharm, Inc. (US) 2007-08-22 — — EP claimed
WO-2006052906-A2 SYNTHESIS OF CARDIOLIPIN ANALOGUES AND USES THEREOF NEOPHARM, INC. (US) 2006-05-18 — — WO claimed
US-20050266068-A1 Cardiolipin molecules and methods of synthesis NEOPHARM, INC. (US) 2005-12-01 — — US claimed
EP-1556392-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS Neopharm, Inc. (US) 2005-07-27 — — EP claimed
EP-1513853-A2 CARDIOLIPIN COMPOSITIONS, METHODS OF PREPARATION AND USE Neopharm, Inc. (US) 2005-03-16 — — EP claimed
WO-2004062569-A2 CARDIOLIPIN COMPOSITIONS THEIR METHODS OF PREPARATION AND USE NEOPHARM, INC. (US) 2004-07-29 — — WO claimed
WO-2004039817-A9 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM INC (US) 2004-07-22 — — WO claimed
WO-2004039817-A1 CARDIOLIPIN MOLECULES AND METHOD OF SYNTHESIS NEOPHARM, INC. (US) 2004-05-13 — — WO claimed
WO-2003099830-A2 CARDIOLIPIN COMPOSITIONS, METHODS OF PREPARATION AND USE NEOPHARM, INC. (US) 2003-12-04 — — WO claimed
EP-1257197-A1 METHOD FOR TRANSDERMAL SAMPLING OF ANALYTES HEALTH RESEARCH, INC. (US) 2002-11-20 — — EP claimed
US-6383138-B1 Method for transdermal sampling of analytes HEALTH RESEARCH, INC. 2002-05-07 — — US claimed
WO-2001062144-A1 METHOD FOR TRANSDERMAL SAMPLING OF ANALYTES HEALTH RESEARCH, INC. (US) 2001-08-30 — — WO claimed
JP-8003068-A — — None — — JP disclosed
EP-0037583-B1 METHOD OF FLUOROMETRICALLY MEASURING THE ACTIVITY OF FAT-DEGRADING ENZYMES AND MEANS FOR CARRYING OUT THE METHOD KSV-Chemicals Oy (FI) 1984-10-31 — — EP 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-20050266068-A1 Cardiolipin molecules and methods of synthesis PHOSPHO1, MGLL, LIPA ALDH1A1 4029/4885CNR1 984/4885CNR2 571/4885
US-20080131497-A1 Formulations of DNase and Methods of Use Thereof DNASE1, DNASE1L3, ELANE ALDH1A1 3645/4885CNR1 4567/4885CNR2 4469/4885

“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.

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