SCHEMBL12844405

SCHEMBL12844405

CCCc1c(OC)cc(C)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.50
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ HMGCR P04035 1/20 0.44
▸ ALOX5 P09917 5/20 0.41
▸ CRHR1 P34998 1/20 0.38
▸ ERN1 O75460 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PTGS2 P35354 1/20 0.35

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
SCHEMBL5141831 0.89 ACHE (0.48) ACHEALOX5PTGS2
SCHEMBL13296654 0.87 ALOX5 (0.54) ACHEALOX5PTGS2
SCHEMBL8009626 0.82 CYP1A2 (0.44) PDE3BPDE3AHMGCRALDH1A1SMN1; SMN2
SCHEMBL5141794 0.81 ACHE (0.54) ACHEPDE3BPDE3AERN1ALDH1A1
SCHEMBL7114104 0.80 ALOX5 (0.53) PDE3BPDE3AHMGCRALOX5CYP3A4
SCHEMBL918847 0.80 PTGS2 (0.59) PDE3BPDE3AHMGCRALDH1A1KDM4E
SCHEMBL31187890 0.80 ACHE (0.48) ACHEHMGCRALOX5ERN1ALDH1A1
SCHEMBL31187944 0.80 ACHE (0.48) ACHEERN1ALDH1A1SMN1; SMN2CYP3A4
SCHEMBL10752271 0.79 ALOX5 (0.44) ACHEALOX5CRHR1PTGS2
SCHEMBL919348 0.78 PTGS2 (0.42) PDE3BPDE3AHMGCRALDH1A1KDM4E

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 — — US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 — — 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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK ACHE 1708/4885PDE3B 359/4885PDE3A 475/4885

“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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