SCHEMBL5956653

SCHEMBL5956653

[CH2]OC(=O)CCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.58
SLC22A6 Q4U2R8 2/20 0.58
LMNA P02545 4/20 0.50
NFKB1 P19838 2/20 0.48
PMP22 Q01453 1/20 0.48
CAMK2A Q9UQM7 1/20 0.43
GABRR3 A8MPY1 1/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
HDAC3 O15379 1/20 0.42
GABBR2 O75899 1/20 0.42
CYP1A2 P05177 1/20 0.42
THRB P10828 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRR1 P24046 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRR2 P28476 1/20 0.42
SLC6A1 P30531 1/20 0.42

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
SCHEMBL10682086 0.95 LMNA (0.58) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL597385 0.83
SCHEMBL312723 0.78 SLC22A6 (0.65) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL1289888 0.78 SLC22A6 (0.65) TSHRSLC22A6LMNANFKB1PMP22
SCHEMBL19925 0.78 SLC22A6 (0.65) TSHRSLC22A6LMNANFKB1PMP22
Glutarate SCHEMBL8855094 0.76 SLC22A6 (0.85) TSHRSLC22A6LMNANFKB1PMP22
Glutarate SCHEMBL9583826 0.76 SLC22A6 (0.85) TSHRSLC22A6LMNANFKB1PMP22
Glutarate SCHEMBL1480809 0.76 SLC22A6 (0.85) TSHRSLC22A6LMNANFKB1PMP22
Glutarate SCHEMBL8678828 0.76 SLC22A6 (0.85) TSHRSLC22A6LMNANFKB1PMP22
Glutarate SCHEMBL6701735 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US claimed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 WO claimed
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 US claimed
US-6689767-B2 TRITERPENE BACTERICIDES REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-02-10 US claimed
EP-1322661-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-07-02 EP claimed
US-20020128210-A1 Triterpenes having human antifungal and antiyeast activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-09-12 US claimed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US claimed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO claimed
WO-2002026761-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO claimed
US-20060003948-A1 Compositions that include a triterpene and a carrier REGENTS OF THE UNIVERSITY OF MINNESOTA 2006-01-05 US disclosed
WO-2005077377-A1 COMPOSITIONS THAT INCLUDE A TRITERPENE AND A CARRIER REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2005-08-25 WO disclosed
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil REGENTS OF THE UNIVERSITY OF MINNESOTA 2005-01-20 US disclosed
WO-2004089357-A2 ANTI-FUNGAL FORMULATION OF TRITERPENE AND ESSENTIAL OIL REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2004-10-21 WO disclosed
US-20040097436-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-05-20 US disclosed
US-20020119935-A1 Triterpenes having antibacterial activity REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-08-29 US disclosed
WO-2002026762-A1 TRITERPENES HAVING ANTIBACTERIAL ACTIVITY REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO disclosed
WO-2002026761-A1 TRITERPENES HAVING FUNGICIDAL ACTIVITY AGAINST YEAST REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2002-04-04 WO disclosed
US-5695909-A Silver halide photographic material FUJI PHOTO FILM CO., LTD. (JP) 1997-12-09 US disclosed
US-5665887-A Methine compound FUJI PHOTO FILM CO., LTD. (JP) 1997-09-09 US disclosed
WO-1996034866-A1 IMIDAZO 1,2-A PYRIDINE AND IMIDAZO 1,2-A PYRIDEZINE DERIVATIVES AND THEIR USE AS BONE RESORPTION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-07 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 (5 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-20020128210-A1 Triterpenes having human antifungal and antiyeast activity ERG28, LSS, MANBA TSHR 4070/4885SLC22A6 3808/4885LMNA 1689/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 TSHR 3878/4885SLC22A6 4841/4885LMNA 3225/4885
US-20040097436-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS TSHR 3699/4885SLC22A6 3610/4885LMNA 2543/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 TSHR 4546/4885SLC22A6 785/4885LMNA 1662/4885
US-20020119935-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS TSHR 3699/4885SLC22A6 3610/4885LMNA 2543/4885

“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.