SCHEMBL3580323

SCHEMBL3580323

O=C(O)C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.63
ACP3 P15309 2/20 0.52
GAA P10253 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
PKM P14618 1/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.46
SRC P12931 1/20 0.46
FFAR1 O14842 1/20 0.46
HPGDS O60760 1/20 0.46
ABCC4 O15439 1/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL4538108 0.98 PTGS2 (0.61) PTGS2ACP3TDP1L3MBTL1CYP2D6
SCHEMBL2871540 0.86 HDAC3 (0.48) PTGS2ACP3TDP1L3MBTL1SMN1; SMN2
Diphenylacetic Acid SCHEMBL38022 0.85 SRC (0.62) GAATDP1L3MBTL1CYP2D6SRC
Diphenylacetic Acid SCHEMBL8513250 0.85 SRC (0.62) GAATDP1L3MBTL1CYP2D6SRC
Diphenylacetic Acid SCHEMBL9485695 0.82 SRC (0.59) GAATDP1L3MBTL1CYP2D6SRC
Diphenylacetic Acid SCHEMBL28446280 0.82 SRC (0.59) GAATDP1L3MBTL1CYP2D6SRC
Diphenylacetic Acid SCHEMBL8411440 0.82 SRC (0.59) GAATDP1L3MBTL1CYP2D6SRC
Diphenylacetic Acid SCHEMBL30803718 0.82 SRC (0.59) GAATDP1L3MBTL1CYP2D6SRC
Diphenylacetic Acid SCHEMBL6852183 0.82 SRC (0.59) GAATDP1L3MBTL1CYP2D6SRC
Diphenylacetic Acid SCHEMBL418537 0.82 SRC (0.59) GAATDP1L3MBTL1CYP2D6SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
US-7714167-B2 Catalytic asymmetric epoxidation UNIVERSITY OF CHICAGO (US) 2010-05-11 US disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
EP-1706205-B1 A CATALYTICAL ASYMMETRIC EPOXIDATION UNIV CHICAGO (US) 2008-10-29 EP disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-20070203347-A1 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-08-30 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-7202371-B2 Catalytic asymmetric epoxidation THE UNIVERSITY OF CHICAGO (US) 2007-04-10 US disclosed
US-20050159607-A1 Catalytic asymmetric epoxidation JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-07-21 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 (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-20070203347-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 PTGS2 260/4885ACP3 1427/4885GAA 2249/4885
US-20050159607-A1 Catalytic asymmetric epoxidation DUOX1, DUOX2, EPHX2 PTGS2 260/4885ACP3 1427/4885GAA 2249/4885

“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.