SCHEMBL9899997

SCHEMBL9899997

CCOC(=O)C(C)n1cccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FPR2 P25090 1/20 0.41
KDM4E B2RXH2 5/20 0.40
PIN1 Q13526 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 3/20 0.39
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL311624 0.80 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL311625 0.80 CYP1A2 (0.46) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL7432714 0.80 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL14423555 0.80 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL10028355 0.79 KMT2A (0.39) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL28276234 0.78 ALDH1A1 (0.46) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL14423554 0.75 L3MBTL1 (0.44) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL6706690 0.74 PTPN1 (0.44) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL11489463 0.74 TSHR (0.48) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1
SCHEMBL10028356 0.74 MAPT (0.40) CYP1A2CYP2C9CYP2C19MAPTL3MBTL1

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-20140187795-A1 CRTH2 MODULATORS AND PREPARATION THEREOF IRONWOOD PHARMACEUTICALS, INC. (US) 2014-07-03 US claimed
WO-2012078210-A1 CRTH2 MODULATORS AND PREPARATION THEREOF IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-14 WO 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-20140187795-A1 CRTH2 MODULATORS AND PREPARATION THEREOF NR1H2, NR3C2, ARRB1 CYP1A2 720/4885CYP2C9 2355/4885CYP2C19 1673/4885

“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.