SCHEMBL5801098

SCHEMBL5801098

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.73
CNR2 P34972 7/20 0.73
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C9 P11712 2/20 0.69
HIF1A Q16665 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
TSHR P16473 2/20 0.69
NFKB1 P19838 1/20 0.69
AKR1C3 P42330 7/20 0.68
AKR1C2 P52895 7/20 0.68
MTOR P42345 2/20 0.68
AKR1C4 P17516 2/20 0.68
AKR1C1 Q04828 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
PTGES O14684 1/20 0.68
ABCC3 O15438 1/20 0.68
ABCC4 O15439 1/20 0.68

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
SCHEMBL6753402 0.92 CNR1 (0.83) CNR1CNR2LMNACYP1A2CYP2D6
SCHEMBL3240118 0.89 HIF1A (0.72) CNR1CNR2LMNACYP1A2CYP2D6
SCHEMBL6024947 0.86 PTGS1 (0.66) CNR1CNR2LMNACYP1A2CYP2D6
SCHEMBL8932661 0.83 CNR2 (1.00) CNR1CNR2CYP1A2CYP2C9TSHR
SCHEMBL5797719 0.82 HIF1A (0.80) CNR1CNR2LMNACYP1A2CYP2D6
SCHEMBL18500885 0.82 AKR1C3 (0.79) CNR2LMNACYP1A2CYP2D6CYP2C9
SCHEMBL29386464 0.82 HIF1A (0.80) CNR1CNR2LMNACYP1A2CYP2D6
SCHEMBL3240332 0.82 AKR1C3 (0.75) CNR1CNR2LMNACYP1A2CYP2D6
SCHEMBL29454968 0.82 AKR1C3 (0.75) CNR1CNR2LMNACYP1A2CYP2D6
Indomethacin SCHEMBL28072579 0.82 PTGS2 (0.98) CNR2LMNACYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP claimed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US claimed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 WO claimed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1628532-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION Microbia, Inc. (US) 2006-03-01 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050004104-A1 Methods for the protection of memory and cognition IRONWOOD PHARMACEUTICALS, INC. 2005-01-06 US disclosed
WO-2004108085-A2 METHODS FOR THE PROTECTION OF MEMORY AND COGNITION MICROBIA, INC. (US) 2004-12-16 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 (2 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-20050004104-A1 Methods for the protection of memory and cognition PTGES2, PTGS2, PTGS1 CNR1 699/4885CNR2 393/4885LMNA 3639/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 CNR1 55/4885CNR2 13/4885LMNA 3613/4885

“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.