SCHEMBL5956543

SCHEMBL5956543

[CH2]OC(=O)c1ccccc1C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
ALOX15 P16050 1/20 0.64
AKR1C3 P42330 1/20 0.50
KDM4E B2RXH2 4/20 0.48
HPGD P15428 4/20 0.48
HMGB1 P09429 2/20 0.48
NAPRT Q6XQN6 2/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA7 P43166 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
HSD17B10 Q99714 4/20 0.47
MAPT P10636 2/20 0.47
HDAC8 Q9BY41 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL2200390 0.81 ALDH1A1 (0.70) ALDH1A1ALOX15AKR1C3KDM4EHPGD
SCHEMBL713624 0.81 ALDH1A1 (0.70) ALDH1A1ALOX15AKR1C3KDM4EHPGD
SCHEMBL29393238 0.81 ALDH1A1 (0.70) ALDH1A1ALOX15AKR1C3KDM4EHPGD
SCHEMBL248317 0.81 ALDH1A1 (0.70) ALDH1A1ALOX15AKR1C3KDM4EHPGD
Phthalic Acid SCHEMBL29382148 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHPGD
Phthalic Acid SCHEMBL8069124 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHPGD
Phthalic Acid SCHEMBL8469962 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHPGD
Phthalic Acid SCHEMBL27407792 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHPGD
Phthalic Acid SCHEMBL2574281 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHPGD
Phthalic Acid SCHEMBL27873614 0.80 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4EHPGD

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-4386089-A BACTERICIDES, GROWTH PROMOTERS BAYER AKTIENGESELLSCHAFT (DE) 1983-05-31 US disclosed
EP-0004956-B1 BETA-LACTAM ANTIBIOTICS, PROCESS FOR THEIR PREPARATION, FODDER ADDITIVES, DRUGS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1981-10-14 EP disclosed
EP-0004956-A1 Beta-lactam antibiotics, process for their preparation, fodder additives, drugs and process for their preparation BAYER AG (DE) 1979-10-31 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 (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 ALDH1A1 4716/4885ALOX15 314/4885AKR1C3 2235/4885
US-20050014730-A1 Anti-fungal formulation of triterpene and essential oil BET1, VRK1, VRK2 ALDH1A1 4723/4885ALOX15 155/4885AKR1C3 2086/4885
US-20040097436-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS ALDH1A1 3778/4885ALOX15 186/4885AKR1C3 2016/4885
US-20060003948-A1 Compositions that include a triterpene and a carrier PGGT1B, BET1, CYP51A1 ALDH1A1 4830/4885ALOX15 1193/4885AKR1C3 2848/4885
US-20020119935-A1 Triterpenes having antibacterial activity BET1, PGGT1B, LSS ALDH1A1 3778/4885ALOX15 186/4885AKR1C3 2016/4885

“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.