SCHEMBL5090352

SCHEMBL5090352

C=CC(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.70
ALDH5A1 P51649 1/20 0.67
ABAT P80404 1/20 0.67
TSHR P16473 3/20 0.60
TP53 P04637 2/20 0.60
THRB P10828 7/20 0.53
SRD5A2 P31213 1/20 0.52
THRA P10827 6/20 0.52
ALDH1A1 P00352 3/20 0.50
ALOX15 P16050 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
EGFR P00533 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 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
SCHEMBL4256312 0.89 ALDH5A1 (0.80) AKT1ALDH5A1ABATTSHRTP53
Biphenyl SCHEMBL5090009 0.89 AKT1 (0.69) AKT1ALDH5A1ABATTSHRTP53
Terephthalic Acid SCHEMBL8211964 0.84 TSHR (0.67) AKT1TSHRTP53SRD5A2ALDH1A1
Terephthalic Acid SCHEMBL28022775 0.84 TSHR (0.67) AKT1TSHRTP53SRD5A2ALDH1A1
SCHEMBL8835740 0.83 ALDH5A1 (0.64) AKT1ALDH5A1ABATTSHRTP53
SCHEMBL10772833 0.82 ALDH5A1 (0.70) AKT1ALDH5A1ABATTP53THRB
SCHEMBL38134 0.82 AKT1 (1.00) AKT1ALDH5A1ABATTSHRTP53
Benzene SCHEMBL27516217 0.82 AKT1 (1.00) AKT1ALDH5A1ABATTSHRTP53
SCHEMBL4315033 0.82 ALDH5A1 (0.70) AKT1ALDH5A1ABATTP53THRB
Terephthalic Acid SCHEMBL15799684 0.82 TSHR (0.63) AKT1TSHRTP53SRD5A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115068348-A Curable composition for dental use having excellent storage stability 株式会社松风 2022-09-20 CN disclosed
CN-115068347-A Photocurable composition having excellent depth of cure 株式会社松风 2022-09-20 CN disclosed
CN-115068346-A Dental photocurable composition having excellent handling properties and storage stability 株式会社松风 2022-09-20 CN disclosed
CN-113402666-A Dental photocurable composition with excellent color tone selectivity 株式会社松风 2021-09-17 CN disclosed
CN-113402665-A Dental photocurable composition comprising highly soluble photoacid generator 株式会社松风 2021-09-17 CN disclosed
WO-2016097626-A1 NOVEL COMPOUNDS, SYNTHESIS METHOD THEREOF AND USE OF SAME IN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2016-06-23 WO disclosed
US-7396486-B2 Polymerizable mixtures WACKER CHEMIE AG (DE) 2008-07-08 US disclosed
CN-1302089-C Polymerisable mixtures CONSORTIUM ELEKTROCHEM IND (DE) 2007-02-28 CN disclosed
EP-1740556-A1 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2007-01-10 EP disclosed
US-20060097224-A1 Polymerisable mixtures WACKER CHEMIE AG (DE) 2006-05-11 US disclosed
CN-1711335-A Polymerisable mixtures CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-21 CN disclosed
US-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses RIGEL PHARMACEUTICALS, INC. (US) 2005-10-27 US disclosed
WO-2005097760-A1 HETEROCYCLIC ANTI-VIRAL COMPOUNDS COMPRISING METABOLIZABLE MOIETIES AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
EP-0073456-B1 TETRAAZAANNULENE COBALT COMPLEX COMPOUNDS AND METHOD FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-11-27 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 (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-20050239751-A1 Heterocyclic anti-viral compounds comprising metabolizable moieties and their uses HAVCR2, HCCS, AADAC AKT1 1425/4885ALDH5A1 948/4885ABAT 808/4885

“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.