SCHEMBL8528993

SCHEMBL8528993

O=C(O)COc1ccc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 2/20 0.58
ALDH1A1 P00352 3/20 0.55
ALOX15 P16050 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
MCL1 Q07820 1/20 0.53
PPARD Q03181 1/20 0.53
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FFAR1 O14842 1/20 0.49
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTPN12 Q05209 1/20 0.47
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL8528987 0.85 PTGDR2 (0.55) PTPN7ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL8402084 0.85 ALDH1A1 (0.56) PTPN7ALDH1A1TSHRHSD17B10MCL1
SCHEMBL3301562 0.85 PPARD (0.66) PTPN7ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL29712519 0.84 ALDH1A1 (0.58) ALDH1A1TSHRMCL1PPARDPOLB
SCHEMBL11887758 0.84 ALDH1A1 (0.58) ALDH1A1ALOX15TSHRHSD17B10L3MBTL1
SCHEMBL31186568 0.81 PTPN11 (0.57) ALDH1A1TSHRPOLB
SCHEMBL930228 0.81 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10LMNAMAPT
SCHEMBL15787044 0.80 ALDH1A1 (0.50) ALDH1A1TSHRPPARDL3MBTL1FFAR1
SCHEMBL4076964 0.79 PTPN7 (0.85) PTPN7ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL14104475 0.79 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER C4 THERAPEUTICS, INC. 2023-01-26 US disclosed
EP-4051674-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2022-09-07 EP disclosed
CN-114728936-A Bifunctional compounds for the treatment of cancer 豪夫迈·罗氏有限公司 2022-07-08 CN disclosed
WO-2021083949-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2021-05-06 WO disclosed
EP-0603731-B1 Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL CO LTD (JP) 1998-03-11 EP disclosed
US-5540857-A Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL CO., LTD. (JP) 1996-07-30 US disclosed
US-5422034-A Treating with porous polyimide particles; high voltage retention and high display properties HITACHI CHEMICAL COMPANY, LTD. (JP) 1995-06-06 US disclosed
EP-0603731-A1 Purification of liquid crystals and liquid crystal composition HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-06-29 EP disclosed
US-4791157-A REACTING TRIMELLITIC ACID WITH AROMATIC DIAMINE WITH ETHER GROUPS HITACHI CHEMICAL CO. (JP) 1988-12-13 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-20230024096-A1 BIFUNCTIONAL COMPOUNDS FOR THE TREATMENT OF CANCER SMARCC1, SMARCC2, SMARCA2 PTPN7 4001/4885ALDH1A1 2182/4885ALOX15 4624/4885

“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.