SCHEMBL7121659

SCHEMBL7121659

CC(=O)Oc1ccc(C(=O)O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.69
ALDH1A1 P00352 7/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
TSHR P16473 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CYP3A4 P08684 3/20 0.55
MAPK1 P28482 3/20 0.53
HPGD P15428 2/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
PKM P14618 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50
CYP2D6 P10635 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
SCHEMBL4193452 0.87 CYP3A4 (0.70) KDM4EALDH1A1CYP3A4MAPK1HPGD
SCHEMBL30976995 0.87 CYP3A4 (0.70) KDM4EALDH1A1CYP3A4MAPK1HPGD
SCHEMBL31364552 0.85 KDM4E (0.64) KDM4EALDH1A1CA12CA1CA2
SCHEMBL344841 0.85 KDM4E (0.64) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4360840 0.85 KDM4E (0.73) KDM4EALDH1A1TSHRCYP3A4MAPK1
SCHEMBL11312620 0.84 CYP3A4 (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL8839069 0.83 RXRA (0.50) KDM4EALDH1A1CYP3A4MAPK1HPGD
SCHEMBL6271897 0.83 ALDH1A1 (0.50) KDM4EALDH1A1CA12CA1CA2
SCHEMBL996990 0.83 HPGD (0.74) KDM4EALDH1A1CYP3A4MAPK1HPGD
SCHEMBL1207513 0.82 CA12 (0.66) KDM4EALDH1A1CA12CA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985927-A Medicaments for the selective treatment of tumor tissues KREUTZ WERNER (DE) 1999-11-16 US claimed
CN-118724760-A Preparation method of amido guanidine compound and myocardial protection effect thereof 天津理工大学 2024-10-01 CN disclosed
US-20230137472-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-20230137472-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-04 US disclosed
US-9012838-B2 Covalently functionalized nanodiamond-based MALDI matrices and methods of use thereof UNIVERSITY OF SASKATCHEWAN (CA) 2015-04-21 US disclosed
US-20140312218-A1 COVALENTLY FUNCTIONALIZED NANODIAMOND-BASED MALDI MATRICES AND METHODS OF USE THEREOF UNIVERSITY OF SASKATCHEWAN (CA) 2014-10-23 US disclosed
EP-0817623-B1 MEDICAMENTS FOR THE SELECTIVE TREATMENT OF TUMOUR TISSUES KREUTZ WERNER PROF DR (DE) 2003-11-12 EP disclosed
US-5985927-A Medicaments for the selective treatment of tumor tissues KREUTZ WERNER (DE) 1999-11-16 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 (1 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-20140312218-A1 COVALENTLY FUNCTIONALIZED NANODIAMOND-BASED MALDI MATRICES AND METHODS OF USE THEREOF ITGA2B, MMP2, ITGAV KDM4E 2997/4885ALDH1A1 1988/4885CA12 362/4885

“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.