SCHEMBL13308993

SCHEMBL13308993

CC1(C)c2ccccc2N2CCCc3cccc1c32

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
GAA P10253 1/20 0.43
MAP2K1 Q02750 1/20 0.42
CES1 P23141 2/20 0.41
NOTUM Q6P988 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
ATM Q13315 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX12 P18054 1/20 0.37
ROCK1 Q13464 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
NUDT1 P36639 1/20 0.36
KDM1A O60341 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
SCHEMBL13352793 0.77 EED (0.39) ALDH1A1CES1NOTUMMEN1KMT2A
SCHEMBL19122704 0.76 CES1 (0.53) ALDH1A1CES1NOTUMMEN1KMT2A
SCHEMBL20088341 0.76 CES1 (0.44) ALDH1A1CES1NOTUMMEN1KMT2A
SCHEMBL11880068 0.75 ROCK1 (0.50) ALDH1A1CES1NOTUMMEN1KMT2A
SCHEMBL15325413 0.75 P2RY1 (0.37) ALDH1A1MAP2K1NOTUMMEN1KMT2A
SCHEMBL12721274 0.74 HTT (0.43) ALDH1A1GAAMAP2K1CES1NOTUM
SCHEMBL14933470 0.74 NPC1 (0.36) MAP2K1MEN1KMT2AUSP2SMN1; SMN2
SCHEMBL13152974 0.73 L3MBTL1 (0.39) ALDH1A1CES1NOTUMMEN1KMT2A
SCHEMBL15325421 0.73 MAP2K1 (0.51) ALDH1A1MAP2K1NOTUMMEN1KMT2A
SCHEMBL1585025 0.72 CES1 (0.47) ALDH1A1GAAMAP2K1CES1MEN1

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-8759394-B2 4-hydroxybutyric acid analogs CONCERT PHARMACEUTICALS, INC. (US) 2014-06-24 US disclosed
US-20100157202-A1 CONJUGATED POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 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 (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-20100157202-A1 CONJUGATED POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SLC30A6, SLC43A1, SLC39A3 ALDH1A1 2399/4885GAA 3766/4885MAP2K1 4430/4885

“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.