SCHEMBL3071049

SCHEMBL3071049

CCCCCCOc1ccc(-c2ccc(C=O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
HPGD P15428 3/20 0.61
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
RARB P10826 3/20 0.60
NR5A1 Q13285 1/20 0.54
CYP3A4 P08684 2/20 0.53
CYP2D6 P10635 2/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 1/20 0.51
CYP1A2 P05177 1/20 0.49
CYP19A1 P11511 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
LTA4H P09960 2/20 0.49
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL7289971 1.00 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL3086009 1.00 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL2123631 1.00 ALDH1A1 (0.61) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL7288765 0.98 ALDH1A1 (0.63) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL13739981 0.98 ALDH1A1 (0.63) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL1864244 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL10497693 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL585375 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL1164373 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2
SCHEMBL1164661 0.95 ALDH1A1 (0.67) ALDH1A1HPGDLMNAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790744-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2010-09-07 US disclosed
EP-1575964-B1 N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS MERCK & CO INC (US) 2009-11-11 EP disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-7351725-B2 N-(benzyl)aminoalkylcarboxylates, phosphinates, phosphonates and tetrazoles as Edg receptor agonists MERCK & CO., INC. (US) 2008-04-01 US disclosed
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY 2005-08-18 US disclosed
US-6916784-B2 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 2005-07-12 US disclosed
US-6743777-B1 TRISPHENYL ACYL DERIVATIVES OF THE ECHINOCANDIN CLASS; CANDIDA ALBICANS; ANTIFUNGAL AND ANTIPARASITIC; CYCLIC HEXAPEPTIDES HAVING UNIQUE SIDE CHAIN ACYL GROUP ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030220236-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY 2003-11-27 US disclosed
EP-0744405-B1 Cyclic peptide antifungal agents LILLY CO ELI (US) 2003-07-16 EP disclosed
EP-0736541-B1 Cyclic hexapeptide antifungal agents LILLY CO ELI (US) 2002-11-27 EP disclosed
US-5693750-A MICROBIOCIDAL ACTION AGAINST PNEUMOCYSTIS INFECTIONS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-12-02 US disclosed
US-5652213-A CYCLIC HEXAPEPTIDE FUNGICIDES, PARASITICIDES ELI LILLY AND COMPANY (US) 1997-07-29 US disclosed
US-5646111-A Cyclic peptide antifungal Agents ELI LILLY AND COMPANY (US) 1997-07-08 US disclosed
WO-1996037510-A1 CYCLIC PEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 1996-11-28 WO disclosed
EP-0744405-A2 Cyclic peptide antifungal agents ELI LILLY AND COMPANY (US) 1996-11-27 EP disclosed
US-5569646-A TREATMENT OF PNEUMONIA; MICROBIOCIDES, FUNGICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-10-29 US disclosed
WO-1996031228-A1 CYCLIC PEPTIDE ANTIFUNGAL AGENTS ELI LILLY AND COMPANY (US) 1996-10-10 WO disclosed
EP-0736541-A1 Cyclic hexapeptide antifungal agents ELI LILLY AND COMPANY (US) 1996-10-09 EP disclosed
EP-0644199-A1 Cyclic antimicrobial peptides and preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-22 EP disclosed
EP-0561639-A1 Cyclic peptide antifungal agents and process for preparation thereof ELI LILLY AND COMPANY (US) 1993-09-22 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-20030220236-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, HM13, PTMS ALDH1A1 4721/4885HPGD 2068/4885LMNA 3429/4885
US-20050181984-A1 Cyclic peptide antifungal agents and process for preparation thereof NGLY1, PTMS, HM13 ALDH1A1 4825/4885HPGD 3197/4885LMNA 3335/4885

“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.