SCHEMBL9229804

SCHEMBL9229804

CCCOC(C)c1cc(C)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPBWR1 P48145 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TRPA1 O75762 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GPR55 Q9Y2T6 1/20 0.31
▸ AKR1B1 P15121 1/20 0.30

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
SCHEMBL9070614 0.83 LMNA (0.35) SMN1; SMN2ALDH1A1NPBWR1MCHR1MAPT
SCHEMBL12944859 0.77 PDE2A (0.46) —
SCHEMBL19432148 0.76 AR (0.36) SMN1; SMN2ALDH1A1NPBWR1MCHR1PKM
SCHEMBL15355230 0.75 MAPT (0.36) SMN1; SMN2ALDH1A1NPBWR1MCHR1MAPT
SCHEMBL9285532 0.75 IDO1 (0.37) PKMSLC6A2POLB
SCHEMBL9234955 0.75 IDO1 (0.37) PKMSLC6A2POLB
SCHEMBL15899607 0.74 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1NPBWR1MCHR1LMNA
SCHEMBL8295646 0.74 POLB (0.34) SMN1; SMN2ALDH1A1NPBWR1MCHR1MAPT
SCHEMBL9281379 0.73 HTR2C (0.31) HTR2B
SCHEMBL9282320 0.73 MAPK1 (0.35) ALDH1A1

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-8946266-B2 Substituted triazole and imidazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-02-03 — — US disclosed
US-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS CELLZOME LIMITED (GB) 2012-05-31 — — 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-20120135981-A1 NOVEL SUBSTITUTED TRIAZOLE AND IMIDAZOLE DERIVATIVES AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A SMN1; SMN2 3851/4885ALDH1A1 1231/4885NPBWR1 1143/4885

“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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