SCHEMBL7803069

SCHEMBL7803069

CC(C)Oc1cc(F)cc(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.36
NR1H4 Q96RI1 1/20 0.34
FFAR4 Q5NUL3 4/20 0.33
SCN9A Q15858 1/20 0.33
HMGCR P04035 1/20 0.33
PTPN5 P54829 2/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PIM1 P11309 1/20 0.30
PIM3 Q86V86 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
SCHEMBL25744912 0.87 SCN9A (0.35) SCN9AGABRA1GABRB2
SCHEMBL24768009 0.85 TP53 (0.32) SCN9AGABRA1GABRB2
SCHEMBL19297877 0.82 KAT6A (0.34) KAT6AFFAR4SCN9AGRIN2DGRIN3B
SCHEMBL11916157 0.81 KAT6A (0.39) KAT6AFFAR4GRIN2DGRIN3BGRIN1
SCHEMBL13172410 0.78 FFAR4 (0.35) KAT6ANR1H4FFAR4HMGCRGABRA1
SCHEMBL19294275 0.78 ALDH1A1 (0.44) KAT6ANR1H4FFAR4HMGCRGABRA1
SCHEMBL179432 0.78 CA1 (0.42) GABRA1GABRB2ALDH1A1
SCHEMBL13172494 0.77 NR1H4 (0.34) NR1H4FFAR4HMGCRGABRA1GABRB2
SCHEMBL14919291 0.77 NR1H4 (0.34) NR1H4HMGCRGABRA1GABRB2GRIN2D
SCHEMBL19418790 0.77 SCN9A (0.41) KAT6AFFAR4SCN9AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10023519-B2 Cyclobutane containing carboxylic acid GPR120 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 US disclosed
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-8367838-B2 Amines or amino alcohols as GLYT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-02-05 US disclosed
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS KOLCZEWSKI SABINE (DE) 2012-09-13 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS HOFFMANN-LA ROCHE, INC. 2010-08-19 US disclosed
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases WYETH (US) 2010-05-13 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 (5 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-10023519-B2 Cyclobutane containing carboxylic acid GPR120 modulators GPR68, GPR88, GPR55 KAT6A 2567/4885NR1H4 62/4885FFAR4 34/4885
US-20170247311-A1 CYCLOBUTANE CONTAINING CARBOXYLIC ACID GPR120 MODULATORS GPR68, GPR88, GPR55 KAT6A 2567/4885NR1H4 62/4885FFAR4 34/4885
US-20120232033-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KAT6A 453/4885NR1H4 748/4885FFAR4 2991/4885
US-20100210592-A1 AMINES OR AMINO ALCOHOLS AS GLYT1 INHIBITORS GFPT1, CEPT1, SLC18A2 KAT6A 453/4885NR1H4 748/4885FFAR4 2991/4885
US-20100120762-A1 Triazine derivatives as inhibitors of phosphodiesterases PDE2A, PDE5A, PDE12 KAT6A 2329/4885NR1H4 3850/4885FFAR4 2354/4885

“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.