SCHEMBL2898402

SCHEMBL2898402

Cc1ccc(C(=O)O)c(I)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAAO P46952 1/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
AKR1B10 O60218 1/20 0.41
TRPA1 O75762 1/20 0.41
ABCB11 O95342 1/20 0.41
DHFR P00374 1/20 0.41
LMNA P02545 1/20 0.41
MPO P05164 1/20 0.41
CYP3A4 P08684 1/20 0.41
CHRM1 P11229 1/20 0.41
CYP2C9 P11712 1/20 0.41
AKR1B1 P15121 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
AKR1C3 P42330 1/20 0.41

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
SCHEMBL28739998 0.98 HAAO (0.41) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL7130116 0.86 CYP1A2 (0.46) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL1936626 0.84 CYP1A2 (0.44) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL11320085 0.81 SIRT3 (0.41) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL27661072 0.81 HAAO (0.41) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL3112547 0.81 CYP1A2 (0.41) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL28033212 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL29370019 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL242262 0.79 CYP1A2 (0.48) HAAOCYP1A2ALDH1A1KDM4EHPGD
SCHEMBL16107785 0.79 EPRS1 (0.40) HAAOCYP1A2ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114394952-A Vadimezan process impurity compound, preparation method and application 成都大学 2022-04-26 CN claimed
CN-114394952-A Vadimezan process impurity compound, preparation method and application 成都大学 2022-04-26 CN disclosed
US-8350065-B2 5,6-dimethyl xanthone-4-acetic acid derivatives and method of preparing the same GRAND PHARMA (CHINA) CO., LTD. (CN) 2013-01-08 US disclosed
US-8350065-B2 5,6-dimethyl xanthone-4-acetic acid derivatives and method of preparing the same GRAND PHARMA (CHINA) CO., LTD. (CN) 2013-01-08 US disclosed
US-20100286254-A1 CRYSTALLINE FORMS OF DMXAA SODIUM SALT ANTISOMA RESEARCH LIMITED (GB) 2010-11-11 US disclosed
CN-101878206-A Crystalline forms of (5, 6-dimethyl-9-oxo-9H-xanthen-4-yl) acetic acid sodium salt ANTISOMA RES LTD 2010-11-03 CN disclosed
EP-2205580-A1 CRYSTALLINE FORMS OF DMXAA SODIUM SALT Antisoma Research Limited (GB) 2010-07-14 EP disclosed
EP-2196463-A1 PREPARATION OF 5,6-DIMETHYLXANTHONE-4-ACETIC ACID, THE DERIVATIVES PREPARED AND PHARMACEUTICAL FORMULATIONS THEREOF Wuhan Grand Pharmaceutical Group Co., Ltd (CN) 2010-06-16 EP disclosed
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME GRAND PHARMA (CHINA) CO., LTD. (CN) 2010-04-22 US disclosed
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME GRAND PHARMA (CHINA) CO., LTD. (CN) 2010-04-22 US disclosed
US-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same EISAI CO., LTD. 2003-09-11 US disclosed
US-6489336-B2 PHENOTHIAZINE, ACRIDAN, ACRIDONE OXIME, ACRIDONE HYDRAZONE, OR DIBENZODIAZEPINE DERIVATIVES; TYROSINE KINASE INHIBITORS; TREATING ALLERGIC DISEASES EISAI CO., LTD. (JP) 2002-12-03 US disclosed
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same EISAI CO., LTD. 2002-08-01 US disclosed
US-6333322-B1 FOR THERAPY OF ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, URTICARIA, HAY FEVER, GASTROINTESTINAL ALLERGY AND FOOD ALLERGY EISAI CO., LTD. (JP) 2001-12-25 US disclosed
CN-1216982-A Nitrogenous tricycle compounds and drugs comprising same EISAI CO LTD (JP) 1999-05-19 CN disclosed
EP-0889037-A1 NITROGENOUS TRICYCLIC COMPOUNDS AND DRUGS COMPRISING THE SAME Eisai Co., Ltd. (JP) 1999-01-07 EP disclosed
EP-0857721-A1 ACRIDONE COMPOUNDS Eisai Co., Ltd. (JP) 1998-08-12 EP disclosed
EP-0181526-B1 BENZOIC ACID DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 1989-01-18 EP disclosed
US-4698364-A INFECTION CONTROL CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1987-10-06 US disclosed
EP-0181526-A1 Benzoic acid derivatives Chugai Seiyaku Kabushiki Kaisha (JP) 1986-05-21 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 (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-20030171367-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 HAAO 229/4885CYP1A2 63/4885ALDH1A1 149/4885
US-20020103189-A1 Nitrogen-containing tricyclic compounds and drugs containing the same HRH2, HRH1, HRH4 HAAO 229/4885CYP1A2 63/4885ALDH1A1 149/4885
US-20100099754-A1 5,6-DIMETHYL XANTHONE-4-ACETIC ACID DERIVATIVES AND METHOD OF PREPARING THE SAME HCAR2, HAO2, HK2 HAAO 56/4885CYP1A2 39/4885ALDH1A1 1863/4885
US-20100286254-A1 CRYSTALLINE FORMS OF DMXAA SODIUM SALT XDH, XPA, MLX HAAO 474/4885CYP1A2 1471/4885ALDH1A1 3217/4885

“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.