SCHEMBL14520229

SCHEMBL14520229

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=O)Nc1ccc(C(=O)NNC(=N)N)cc1)O2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
ACHE P22303 17/20 0.42
BCHE P06276 16/20 0.42
MAOB P27338 1/20 0.40

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
SCHEMBL20764447 0.84 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9313647 0.83 PTGS1 (0.64) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL4317784 0.82 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15820661 0.82 PTGS1 (0.56) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL15820196 0.80 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9313643 0.80 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL30463821 0.80 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9656754 0.80 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9253766 0.80 PTGS1 (0.66) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9688177 0.78 PTGS1 (0.60) PTGS1PTGS2CYP1A2CYP3A4TSHR

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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US disclosed
US-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES NAFTCHI N E 2007-04-12 US 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-20070082918-A1 NEUROLOGICALLY ACTIVE COMPOUNDS AND COMPOUNDS WITH MULTIPLE ACTIVITIES ADRB2, ADRB1, CHRNA7 PTGS1 1699/4885PTGS2 1961/4885CYP1A2 552/4885

“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.