SCHEMBL7188296

SCHEMBL7188296

CC(C)(C)C1=CC(=NO)C=C(C(C)(C)C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ATM Q13315 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ CES2 O00748 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ MPI P34949 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ POLB P06746 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ NPC1 O15118 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GPR35 Q9HC97 1/20 0.33

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
SCHEMBL11493904 0.88 SMN1; SMN2 (0.39) SMN1; SMN2ATMALDH1A1MAPTCES2
SCHEMBL16675402 0.74 SMN1; SMN2 (0.57) SMN1; SMN2ATMALDH1A1MAPTCES2
SCHEMBL13010088 0.72 SMN1; SMN2 (0.44) SMN1; SMN2ATMALDH1A1MAPTCES2
SCHEMBL853674 0.72 MAPT (0.52) SMN1; SMN2ATMALDH1A1MAPTCES2
SCHEMBL359232 0.72 ATM (0.52) SMN1; SMN2ATMALDH1A1MAPTCES2
SCHEMBL22080994 0.71 ALDH1A1 (0.57) SMN1; SMN2ATMALDH1A1MAPTCES2
SCHEMBL22080461 0.71 ALDH1A1 (0.57) SMN1; SMN2ATMALDH1A1MAPTCES2
Methane SCHEMBL21391655 0.70 ATM (0.50) SMN1; SMN2ATMALDH1A1MAPTCES2
SCHEMBL28164197 0.70 ATM (0.50) SMN1; SMN2ATMALDH1A1MAPTCES2
SCHEMBL16211065 0.70 SMN1; SMN2 (0.45) SMN1; SMN2ATMALDH1A1MAPTCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 — — US disclosed
US-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction FORSCHUNGSVERBUND BERLIN E.V. (DE) 2009-07-09 — — US disclosed
JP-2003146928-A METHOD FOR DISTILLING OXYSTYRENE DERIVATIVE HOKKO CHEM IND CO LTD 2003-05-21 — — JP disclosed
US-4237326-A SOLUTION OF METHYLATED BENZOQUINONE-4-OXIME MITSUBISHI PETROCHEMICAL COMPANY LIMITED (JP) 1980-12-02 — — 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-20090176773-A1 Non-Peptidic Inhibitors of AKAP/PKA Interaction PRKCH, AIP, PRKCE SMN1; SMN2 4491/4885ATM 2047/4885ALDH1A1 4689/4885

“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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