SCHEMBL9607537

SCHEMBL9607537

Cc1cc(C(C)(C)C)n(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 3/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 4/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
PDE2A O00408 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
SCHEMBL12912050 0.83 ATM (0.40) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL10156873 0.77 GRN (0.37) POLBKDM4E
SCHEMBL2733622 0.76 ALDH1A1 (0.41) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL23403157 0.76 ALDH1A1 (0.32) ATMALDH1A1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL24417708 0.76 HPGD (0.37) KDM4ESMN1; SMN2HPGD
SCHEMBL427520 0.74 SMN1; SMN2 (0.37) ALDH1A1KMT2AMEN1KDM4ESMN1; SMN2
SCHEMBL21719846 0.73 ATM (0.39) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL21720000 0.73 GAA (0.41) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL21718652 0.73 ATM (0.39) ATMALDH1A1L3MBTL1POLBPKM
SCHEMBL21720660 0.73 ATM (0.39) ATMALDH1A1L3MBTL1POLBPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 US disclosed
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators MERCK & CO., INC. (US) 2012-05-31 US disclosed
US-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof SINOCHEM CORPORATION 2011-02-24 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 (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-20110046152-A1 Amide Compounds, Preparation Methods and Uses Thereof ACHE, MGAM, PGLS ATM 377/4885ALDH1A1 1163/4885L3MBTL1 131/4885
US-20120135975-A1 Substituted Esters as Cannabinoid-1 Receptor Modulators CNR1, CNR2, FAAH ATM 2627/4885ALDH1A1 2986/4885L3MBTL1 3044/4885

“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.