SCHEMBL5582283

SCHEMBL5582283

O=C(OCc1cccc(N2COc3ccccc3C2=O)c1)c1ccccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
ATM Q13315 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
EGFR P00533 1/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
STAT1 P42224 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL5535974 0.80 TDP1 (0.58) TDP1MEN1KMT2ARAB9ANPC1
SCHEMBL5582347 0.73 TDP1 (0.48) TDP1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL5538981 0.69 TDP1 (0.62) TDP1MEN1KMT2AALDH1A1NR1H3
SCHEMBL5542353 0.68 NR1H3 (0.52) TDP1MEN1KMT2ARAB9ANPC1
Benzyl Salicylate SCHEMBL15573 0.68 TDP1 (1.00) TDP1L3MBTL1KMT2ARAB9AKDM4E
Benzyl Salicylate SCHEMBL30184766 0.68 TDP1 (1.00) TDP1L3MBTL1KMT2ARAB9AKDM4E
Benzyl Salicylate SCHEMBL1871397 0.68 TDP1 (1.00) TDP1L3MBTL1KMT2ARAB9AKDM4E
SCHEMBL10780057 0.68 TDP1 (0.69) TDP1L3MBTL1MEN1KMT2ARAB9A
SCHEMBL8425713 0.67 TDP1 (0.68) TDP1L3MBTL1MEN1KMT2ARAB9A
Benzyl Salicylate SCHEMBL7199160 0.67 TDP1 (0.96) TDP1L3MBTL1KMT2ARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S.A. (BR) 2012-05-10 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-20120115817-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF-ALPHA MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES TNF, PER2, CRY1 TDP1 4039/4885L3MBTL1 4882/4885MEN1 3050/4885

“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.