SCHEMBL4562844

SCHEMBL4562844

O=c1ccc2cc(-c3ccc[nH]3)ccc2o1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 16/20 0.59
ALDH1A1 P00352 2/20 0.47
CA12 O43570 2/20 0.47
MCL1 Q07820 2/20 0.47
CA9 Q16790 2/20 0.47
LMNA P02545 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 1/20 0.45
GMNN O75496 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
THPO P40225 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
SCHEMBL26265589 0.77 ABL1 (0.49) CYP1A2
SCHEMBL3380631 0.76 ESR2 (0.47) ALDH1A1TDP1MEN1HPGDKMT2A
SCHEMBL2459827 0.76 DYRK1A (0.49) CA12CA2
SCHEMBL26260211 0.75 ABL1 (0.44)
SCHEMBL6244641 0.75 PGR (1.00) PGRALDH1A1CA12MCL1CA9
SCHEMBL3377170 0.73 MIF (0.58) ALDH1A1TDP1MEN1HPGDKMT2A
SCHEMBL2457632 0.72 CYP11B1 (0.55) ALDH1A1CA12CA9CYP1A2MAPT
SCHEMBL2462649 0.70 ABL1 (0.40)
SCHEMBL2458586 0.69 ABL1 (0.36) CYP3A4CYP2D6CYP2C19HSD17B10
SCHEMBL3086551 0.69 CA12 (0.60) PGRALDH1A1CA12MCL1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581477-B1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2009-12-02 EP disclosed
CN-1939896-A Cycloalkenedicarboxylic acid compounds as anti-inflammatory, immunomodulatory and antiproliferative agents 4SC AG (DE) 2007-04-04 CN disclosed
US-7071355-B2 Compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2006-07-04 US disclosed
CN-1732147-A Cycloalkenedicarboxylic acid compounds as anti-inflammatory, immunomodulatory and antiproliferative agents 4 SC AG (DE) 2006-02-08 CN disclosed
EP-1581477-A1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2005-10-05 EP disclosed
US-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents 4 SC AG (DE) 2004-09-09 US disclosed
WO-2004056746-A1 CYCLOALKENE DICARBOXYLIC ACID COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2004-07-08 WO 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-20040176458-A1 Novel compounds as anti-inflammatory, immunomodulatory and anti-proliferatory agents MSR1, PPARG, PPARA PGR 1989/4885ALDH1A1 1489/4885CA12 3810/4885

“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.