SCHEMBL56986

SCHEMBL56986

O=C(CCc1cccc(O)c1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
APP P05067 1/20 0.55
ALDH1A1 P00352 4/20 0.54
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
IDO1 P14902 1/20 0.50
OPRK1 P41145 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ALOX5 P09917 1/20 0.48
TYR P14679 1/20 0.48
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47

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
SCHEMBL8356503 0.91 MAPK1 (0.51) TDP1APPALDH1A1MAPK1L3MBTL1
SCHEMBL304176 0.86 TDP1 (0.78) TDP1APPALDH1A1MAPK1L3MBTL1
SCHEMBL28207503 0.84 TDP1 (0.75) TDP1APPALDH1A1MAPK1L3MBTL1
Bicarbonate SCHEMBL7699565 0.84 TDP1 (0.75) TDP1APPALDH1A1MAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL28588274 0.84 TDP1 (0.75) TDP1APPALDH1A1MAPK1L3MBTL1
SCHEMBL197805 0.84 APP (0.76) TDP1APPALDH1A1MAPK1L3MBTL1
SCHEMBL5450328 0.84 TDP1 (0.56) TDP1APPALDH1A1MAPK1L3MBTL1
SCHEMBL22276673 0.84 TDP1 (0.56) TDP1APPALDH1A1MAPK1L3MBTL1
SCHEMBL2745464 0.84 CYP4F2 (0.57) TDP1APPALDH1A1TYRDRD2
SCHEMBL56760 0.83 ALDH1A1 (0.73) TDP1ALDH1A1MAPK1L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12473331-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2025-11-18 US disclosed
US-20240043470-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS UNIV CORNELL (US) 2024-02-08 US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors CORNELL UNIVERSITY (US) 2023-12-05 US disclosed
US-20220324907-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS TRI-INSTITUTIONAL THERAPEUTICS DISCOVERY INSTITUTE 2022-10-13 US disclosed
EP-3694508-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS Cornell University (US) 2020-08-19 EP disclosed
WO-2019075259-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS CORNELL UNIVERSITY (US) 2019-04-18 WO disclosed
CN-101336246-B Phosphonic acid diester derivative and method for producing same PING ZHURUN 2012-11-28 CN disclosed
US-8129557-B2 Phosphonic acid diester derivative and method for producing thereof Nagai, Kazuhiro (JP) 2012-03-06 US disclosed
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF HIRATAKE, GOU (JP) 2009-06-25 US disclosed
CN-101336246-A Phosphonic acid diester derivative and method for producing same HIRATAKE JUN (JP) 2008-12-31 CN disclosed
EP-0339549-A2 Tyr-peptide analogs F. HOFFMANN-LA ROCHE AG (CH) 1989-11-02 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 (5 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-20240043470-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB3 TDP1 2070/4885APP 1967/4885ALDH1A1 4081/4885
US-11834515-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 TDP1 2070/4885APP 1967/4885ALDH1A1 4081/4885
US-20090163725-A1 PHOSPHONIC ACID DIESTER DERIVATIVE AND METHOD FOR PRODUCING THEREOF PPA1, G6PD, PHOSPHO1 TDP1 1759/4885APP 2330/4885ALDH1A1 1716/4885
US-12473331-B2 Macrocyclic compounds as proteasome inhibitors PSMB5, PSMB1, PSMB3 TDP1 2070/4885APP 1967/4885ALDH1A1 4081/4885
US-20220324907-A1 MACROCYCLIC COMPOUNDS AS PROTEASOME INHIBITORS PSMB5, PSMB1, PSMB3 TDP1 2070/4885APP 1967/4885ALDH1A1 4081/4885

“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.