SCHEMBL8094583

SCHEMBL8094583

O=C(O)C1=C(C(=O)O)C(C(=O)O)C1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
APLNR P35414 1/20 0.30

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
SCHEMBL5485411 0.67 ALDH1A1 (0.36) CYP2C19ALDH1A1TP53TSHRALOX15
SCHEMBL8954801 0.67 ALDH1A1 (0.36) CYP2C19ALDH1A1TP53TSHRALOX15
SCHEMBL712898 0.67 ALDH1A1 (0.36) CYP2C19ALDH1A1TP53TSHRALOX15
SCHEMBL8954803 0.67 ALDH1A1 (0.36) CYP2C19ALDH1A1TP53TSHRALOX15
SCHEMBL8954795 0.67 ALDH1A1 (0.36) CYP2C19ALDH1A1TP53TSHRALOX15
SCHEMBL23651854 0.65 EDNRA (0.37) ALDH1A1TP53TSHRALOX15
SCHEMBL25192440 0.62 GRM2 (0.34) CYP2C19ALDH1A1TP53TSHRMAPK1
SCHEMBL11041869 0.61 FFAR3 (0.33) ALDH1A1TP53TSHRSMN1; SMN2HSD17B10
Bicarbonate SCHEMBL139212 0.57
SCHEMBL676573 0.56 POLB (0.47) CYP2C19ALDH1A1TP53TSHRALOX15

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-6111059-A LIQUID CRYSTAL DISPLAY DEVICE; HEAT RESISTANCE AND SOLVENT RESISTANCE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-08-29 US claimed
EP-0905167-A1 DIAMINOBENZENE DERIVATIVES, POLYIMIDES PREPARED THEREFROM, AND ALIGNMENT FILM FOR LIQUID CRYSTALS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-03-31 EP claimed
JP-5072538-A None JP disclosed
WO-2024057206-A1 POLYIMIDE ADHESIVE COMPOSITION COMPRISING MALEIMIDE MOIETIES AND AMINE COMPOUND, ARTICLES AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-03-21 WO disclosed
US-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-07-12 US disclosed
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF HUAZHONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2021-04-01 US disclosed
US-20150232665-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM AND LIQUID CRYSTAL DISPLAY ELEMENT HAVING THEREOF CHI MEI CORPORATION (TW) 2015-08-20 US disclosed
JP-H0572538-A FORMATION OF LIQUID CRYSTAL ORIENTING FILM SHARP CORP 1993-03-26 JP 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 (2 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-11384092-B2 Dianhydride compound having rigid alicyclic fluorine-containing structure, and preparation method and use thereof CA3, MLLT3, TET3 CYP2C19 3299/4885ALDH1A1 357/4885TP53 3029/4885
US-20210094965-A1 DIANHYDRIDE COMPOUND HAVING RIGID ALICYCLIC FLUORINE-CONTAINING STRUCTURE, AND PREPARATION METHOD AND USE THEREOF CA3, MLLT3, TET3 CYP2C19 3299/4885ALDH1A1 357/4885TP53 3029/4885

“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.