SCHEMBL4053314

SCHEMBL4053314

O=C(O)Cc1ccccc1-c1csc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ NFE2L2 Q16236 1/20 0.47
▸ CYP2A6 P11509 2/20 0.46
▸ AKR1B1 P15121 1/20 0.44
▸ APP P05067 2/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.42
▸ TP53 P04637 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL2824135 0.82 CYP2A6 (0.63) CYP2A6APPSMN1; SMN2CYP2C9HDAC2
SCHEMBL1233284 0.82 CYP2A6 (0.63) TDP1KEAP1NFE2L2CYP2A6AKR1B1
SCHEMBL7827157 0.79 AKR1B1 (0.67) TDP1AKR1B1MAPT
SCHEMBL18049795 0.79 AKR1B1 (0.42) TDP1KEAP1NFE2L2AKR1B1CYP2C9
SCHEMBL27320554 0.78 CYP2A6 (0.44) CYP2A6APPSMN1; SMN2CYP2C9MAPT
SCHEMBL10339723 0.78 CYP2A6 (0.53) TDP1KEAP1NFE2L2CYP2A6AKR1B1
Acetic Acid SCHEMBL7564503 0.78 CYP2A6 (0.58) TDP1KEAP1NFE2L2CYP2A6SMN1; SMN2
SCHEMBL4381193 0.75 CYP2A6 (0.54) CYP2A6APPCYP2C9HDAC2HDAC3
SCHEMBL13356585 0.75 CNR2 (0.48) APPCYP2C9HDAC2HDAC3HDAC4
SCHEMBL27984156 0.74 CNR2 (0.43) CYP2A6APPSMN1; SMN2CYP2C9POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 — — US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 — — EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 — — 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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 TDP1 1492/4885KEAP1 227/4885NFE2L2 117/4885

“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.

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