SCHEMBL240838

SCHEMBL240838

O=C(O)C(=O)c1ccccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
ALOX15 P16050 1/20 0.74
AKR1C3 P42330 3/20 0.56
KDM4E B2RXH2 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
HMGB1 P09429 1/20 0.54
HPGD P15428 1/20 0.54
CA4 P22748 1/20 0.54
CA6 P23280 1/20 0.54
CA7 P43166 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CA9 Q16790 1/20 0.54
NAPRT Q6XQN6 1/20 0.54
CA14 Q9ULX7 1/20 0.54
MAPT P10636 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
POLB P06746 2/20 0.50
CYP2C19 P33261 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
SCHEMBL1645158 0.92 ALDH1A1 (0.58) ALDH1A1ALOX15AKR1C3KDM4ECA12
SCHEMBL809349 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3KDM4ECA12
SCHEMBL31532967 0.89 ALDH1A1 (0.82) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL23882959 0.86 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL8690036 0.86 ALDH1A1 (0.88) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL5668586 0.86 ALDH1A1 (1.00) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL1686043 0.86 ALDH1A1 (1.00) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL10477086 0.86 ALDH1A1 (1.00) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL1332278 0.86 ALDH1A1 (1.00) ALDH1A1ALOX15AKR1C3KDM4ECA12
Phthalic Acid SCHEMBL146125 0.86 ALDH1A1 (1.00) ALDH1A1ALOX15AKR1C3KDM4ECA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200263184-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING MALATE-ASPARTATE SHUTTLE INHIBITOR AND ANTICANCER DRUG AS ACTIVE INGREDIENTS NATIONAL CANCER CENTER (KR) 2020-08-20 US claimed
US-20200229571-A1 METHOD FOR STRAIGHTENING HUMAN HAIR FIBERS USING HEATING MEANS AND AN a-KETO ACID DERIVATIVE L'OREAL (FR) 2020-07-23 US claimed
EP-3610866-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING MALATE-ASPARTATE SHUTTLE INHIBITOR AND ANTICANCER DRUG AS ACTIVE INGREDIENTS National Cancer Center (KR) 2020-02-19 EP claimed
EP-3141284-B1 METHOD OF STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN ACID DERIVATIVE OREAL (FR) 2019-08-28 EP claimed
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'OREAL (FR) 2019-05-02 US claimed
EP-2029095-B1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS L'ORÉAL (FR) 2017-08-30 EP claimed
US-20130139845-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN ACID DERIVATIVE L'OREAL S.A. (FR) 2013-06-06 US claimed
CN-103119208-A A biocidal polyolefin yarn with 3-12 filaments VESTERGAARD FRANDSEN SA 2013-05-22 CN claimed
US-20100300471-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN ACID DERIVATIVE L'OREAL S.A. (FR) 2010-12-02 US claimed
CN-100416314-C Polarizing, photochromic devices and methods of making the same TRANSITIONS OPTICAL INC (US) 2008-09-03 CN claimed
CN-1842730-A Polarizing, photochromic devices and methods of making the same TRANSITIONS OPTICAL INC (US) 2006-10-04 CN claimed
EP-0219923-B1 ANTIBIOTIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-09-02 EP claimed
US-4931509-A EPOXY-CONTAINING MONOMER; EXCELLENT VULCANIZING WITH UREAS, QUATERNARY AMMONIUM AND PHOSPHONIUM SALTS AND POLYCARBOXYLIC ACIDS OR ANHYDRIDES NIPPON ZEON CO., LTD. (JP) 1990-06-05 US claimed
JP-55055168-A None JP disclosed
JP-55043026-A None JP disclosed
JP-55055169-A None JP disclosed
JP-S5547678-A NOVEL 2-PYRIDYL-1-PHTHALAZONE DERIVATIVE ISHIKAWA MASAYUKI 1980-04-04 JP disclosed
JP-S5543027-A 2-PYRIDYL-1-PHTHALAZONE DERIVATIVE ISHIKAWA MASAYUKI 1980-03-26 JP disclosed
JP-S5543026-A NOVEL 2-PHENYL-1-PHTHALAZONE DERIVATIVE ISHIKAWA MASAYUKI 1980-03-26 JP disclosed
US-4182876-A ANTAGONIST FOR THROMBOXANE A2, USED IN TREATMENT OF CEREBRAL APOPLEXY AND MYOCARDIAL INFARCTION MASAYUKI ISHIKAWA (JP) 1980-01-08 US 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 (4 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-20100300471-A1 METHOD FOR STRAIGHTENING KERATINOUS FIBERS USING HEATING MEANS AND AN ACID DERIVATIVE KRT18, KLK5, HOGA1 ALDH1A1 347/4885ALOX15 1977/4885AKR1C3 67/4885
US-20200229571-A1 METHOD FOR STRAIGHTENING HUMAN HAIR FIBERS USING HEATING MEANS AND AN a-KETO ACID DERIVATIVE KRT18, HOGA1, KHK ALDH1A1 375/4885ALOX15 2006/4885AKR1C3 60/4885
US-20200263184-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTING AND TREATING CANCER, CONTAINING MALATE-ASPARTATE SHUTTLE INHIBITOR AND ANTICANCER DRUG AS ACTIVE INGREDIENTS SLC25A11, SLC16A1, MDH1 ALDH1A1 714/4885ALOX15 2868/4885AKR1C3 1338/4885
US-20190125051-A1 PROCESS FOR STRAIGHTENING KERATIN FIBRES WITH A HEATING MEANS AND DENATURING AGENTS KRT18, KRTCAP2, TUBB4A ALDH1A1 2916/4885ALOX15 4688/4885AKR1C3 692/4885

“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.