SCHEMBL2530396

SCHEMBL2530396

COC(=O)c1ccc(-c2cc(OC)ccc2F)c(C2=CCCCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 1/20 0.39
FFAR1 O14842 10/20 0.38
MAPK14 Q16539 1/20 0.37
EEF2K O00418 1/20 0.36
HPGD P15428 1/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL2310188 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1ATMNPSR1CA1
SCHEMBL2310183 1.00 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1ATMNPSR1CA1
SCHEMBL12221709 0.82 NPC1 (0.41) NPC1RAB9AFFAR1
SCHEMBL2495802 0.82 CA1 (0.38) SMN1; SMN2ALDH1A1ATMNPSR1CA1
SCHEMBL12442328 0.82 NPC1 (0.43) NPC1RAB9AFFAR1MAPK14EEF2K
SCHEMBL2503476 0.82 NEK1 (0.44) SMN1; SMN2ALDH1A1ATMNPSR1NPC1
SCHEMBL24834901 0.81 GRM2 (0.41) SMN1; SMN2ALDH1A1ATMNPSR1CA1
SCHEMBL2314055 0.81 FFAR1 (0.41) NPC1RAB9AFFAR1
SCHEMBL2314058 0.81 FFAR1 (0.41) NPC1RAB9AFFAR1
SCHEMBL2314651 0.81 FFAR1 (0.50) FFAR1

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-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-8030354-B2 2-(5,5-Dimethylcyclopent-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; metabolic disorders such as type II diabetes AMGEN INC. (US) 2011-10-04 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
US-20090137561-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-05-28 US disclosed
WO-2009048527-A1 SUBSTITUTED BIPHENYL GPR40 MODULATORS AMGEN INC. (US) 2009-04-16 WO 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-20090137561-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 SMN1; SMN2 4745/4885ALDH1A1 1149/4885ATM 4500/4885

“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.