SCHEMBL5869130

SCHEMBL5869130

C/C=C(\C)C(=O)OCC=C(C)CCC=C(C)CCC=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
ALOX15 P16050 1/20 0.67
FNTA P49354 5/20 0.55
FNTB P49356 4/20 0.55
PGGT1B P53609 2/20 0.55
KMT2A Q03164 1/20 0.52
TRPV1 Q8NER1 2/20 0.51

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
SCHEMBL29165442 1.00 ALDH1A1 (0.67) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL18604017 0.98 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL5596597 0.98 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL1793466 0.98 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL874195 0.98 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL874196 0.98 ALDH1A1 (0.69) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL30136431 0.90 ALDH1A1 (0.55) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL29142859 0.90 ALDH1A1 (0.76) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL4955238 0.89 ALDH1A1 (0.51) ALDH1A1ALOX15FNTAFNTBPGGT1B
SCHEMBL8662149 0.88 ALDH1A1 (0.79) ALDH1A1ALOX15FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040176311-A1 Composition and method for treating cancer MO HUANBIAO (US) 2004-09-09 US claimed
EP-1061907-A1 MONOTERPENOID DERIVATIVES FOR TREATMENT OF CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-12-27 EP claimed
WO-1999045912-A1 MONOTERPENOID DERIVATIVES FOR TREATMENT OF CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-09-16 WO claimed
US-7074825-B2 Composition and method for treating cancer MO HUANBIAO 2006-07-11 US disclosed
US-6911318-B2 Bacterial transglycosylases: assays for monitoring the activity using Lipid II substrate analogs and methods for discovering new antibiotics THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2005-06-28 US disclosed
US-20040176311-A1 Composition and method for treating cancer MO HUANBIAO (US) 2004-09-09 US disclosed
US-20030129683-A1 Bacterial transglycosylases: assays for monitoring the activity using Lipid II substrate analogs and methods for discovering new antibiotics TRUSTEES OF PRINCETON UNIVERSITY, THE 2003-07-10 US disclosed
US-6566397-B2 Acyclic isoprenoid ether derivatives as chemotherapeutics WISCONSIN ALUMNI RESEARCH FOUNDATION 2003-05-20 US disclosed
US-6461829-B1 DRUG SCREENING ENZYME INHIBITORS THE TRUSTEES OF PRINCETON UNIVERSITY 2002-10-08 US disclosed
US-20020045584-A1 Acyclic isoprenoid ether derivatives as chemotherapeutics WISCONSIN ALUMNI RESEARCH FOUNDATION 2002-04-18 US disclosed
WO-2002005856-A2 ACYCLIC ISOPRENOID ETHER DERIVATIVES AS CHEMOTHERAPUETICS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2002-01-24 WO disclosed
EP-1159293-A1 BACTERIAL TRANSGLYCOSYLASES: ASSAYS FOR MONITORING THE ACTIVITY USING LIPID II SUBSTRATE ANALOGS AND METHODS FOR DISCOVERING NEW ANTIBIOTICS PRINCETON UNIVERSITY (US) 2001-12-05 EP disclosed
US-6303654-B1 EXPOSING TUMOR CELLS TO FARNESYL ANTHRANILATE AND CARRIER TO INHIBIT OR REDUCE TUMOR CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-10-16 US disclosed
US-6303654-B1 EXPOSING TUMOR CELLS TO FARNESYL ANTHRANILATE AND CARRIER TO INHIBIT OR REDUCE TUMOR CELL GROWTH WISCONSIN ALUMNI RESEARCH FOUNDATION 2001-10-16 US disclosed
EP-1061907-A1 MONOTERPENOID DERIVATIVES FOR TREATMENT OF CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-12-27 EP disclosed
EP-1061907-A1 MONOTERPENOID DERIVATIVES FOR TREATMENT OF CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2000-12-27 EP disclosed
WO-2000052035-A1 BACTERIAL TRANSGLYCOSYLASES: ASSAYS FOR MONITORING THE ACTIVITY USING LIPID II SUBSTRATE ANALOGS AND METHODS FOR DISCOVERING NEW ANTIBIOTICS PRINCETON UNIVERSITY (US) 2000-09-08 WO disclosed
WO-1999045912-A1 MONOTERPENOID DERIVATIVES FOR TREATMENT OF CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-09-16 WO disclosed
WO-1999045912-A1 MONOTERPENOID DERIVATIVES FOR TREATMENT OF CANCER WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1999-09-16 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-20030129683-A1 Bacterial transglycosylases: assays for monitoring the activity using Lipid II substrate analogs and methods for discovering new antibiotics COASY, PGLS, MGAM ALDH1A1 2138/4885ALOX15 882/4885FNTA 126/4885

“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.