SCHEMBL577324

SCHEMBL577324

CC[C](Cc1ccc(O)cc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.50
ESR2 Q92731 5/20 0.50
CYP19A1 P11511 2/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
CA2 P00918 2/20 0.45
CAMK2A Q9UQM7 1/20 0.45
PTGS2 P35354 2/20 0.42
ACHE P22303 2/20 0.42
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
NR3C1 P04150 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
FYN P06241 1/20 0.42
PGR P06401 1/20 0.42
CHRM2 P08172 1/20 0.42

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
SCHEMBL628981 0.88 ATM (0.45) ESR1ESR2CYP19A1MEN1ALDH1A1
SCHEMBL27523961 0.83 ALDH1A1 (0.44) MEN1ALDH1A1LMNACYP3A4CYP2D6
SCHEMBL451258 0.76 ATM (0.54) ESR1ESR2CYP19A1PTGS2MEN1
Benzophenone SCHEMBL6858445 0.75 RAB9A (0.53) ESR1ESR2CYP19A1FNTAFNTB
SCHEMBL7361714 0.74 ESR1 (0.46) ESR1ESR2CYP19A1FNTAFNTB
SCHEMBL8672567 0.74 CES1 (0.52) FNTAFNTBMEN1ALDH1A1MAPT
SCHEMBL26638162 0.74 FNTA (0.55) ESR1ESR2CYP19A1FNTAFNTB
SCHEMBL8994830 0.72 CES2 (0.47) ESR1PTGS2MEN1TP53CYP3A4
SCHEMBL2063536 0.72 RAB9A (0.67) ESR1ESR2FNTAFNTBCA2
SCHEMBL13305495 0.72 ESR1 (0.57) ESR1ESR2CYP19A1PTGS2ACHE

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 2 patents. 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 claimed
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP claimed

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 ESR1 3827/4885ESR2 2362/4885CYP19A1 2301/4885

“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.