SCHEMBL13078112

SCHEMBL13078112

CCC(=O)c1ccc(CC)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
HTT P42858 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.45
HSP90AA1 P07900 1/20 0.44
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TLR2 O60603 1/20 0.40
NSD2 O96028 1/20 0.40
PKM P14618 1/20 0.40
MPI P34949 1/20 0.40
GRK6 P43250 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL8078684 0.84 HTT (0.52) NPC1RAB9AHTTTDP1KMT2A
SCHEMBL19458019 0.84 MAPT (0.41) NPC1RAB9AHTTTDP1KMT2A
SCHEMBL266172 0.83 TDP1 (0.67) NPC1RAB9AHTTTDP1KMT2A
SCHEMBL13039993 0.83 NPC1 (0.47) NPC1RAB9AHTTTDP1KMT2A
SCHEMBL3297500 0.81 NPC1 (0.46) NPC1RAB9AHTTTDP1KMT2A
SCHEMBL4257916 0.81 NPC1 (0.46) NPC1RAB9AHTTTDP1KMT2A
SCHEMBL27588344 0.79 HTT (0.47) NPC1RAB9AHTTTDP1KMT2A
SCHEMBL13066253 0.78 NPC1 (0.44) NPC1RAB9AHTTTDP1KMT2A
SCHEMBL1530038 0.78 HTT (0.76) NPC1RAB9AHTTKMT2AHSP90AA1
SCHEMBL12648508 0.78 NPC1 (0.55) NPC1RAB9AHTTTDP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081470-A1 METHODS OF PRODUCING COMPOUNDS FROM 5-(HALOMETHYL)FURFURAL MICROMIDAS, INC. (US) 2017-03-23 US disclosed
US-7825237-B2 Oligonucleotides and analogs labeled with energy transfer dyes APPLIED BIOSYSTEMS, LLC (US) 2010-11-02 US disclosed
US-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES Life Technologies Corporation (US) 2010-02-04 US disclosed
US-7399854-B2 Regents labeled with energy transfer dyes APPLERA CORPORATION (US) 2008-07-15 US disclosed
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES APPLERA CORPORATION (US) 2007-07-12 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 (3 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-20100029923-A1 OLIGONUCLEOTIDES AND ANALOGS LABELED WITH ENERGY TRANSFER DYES RBM28, TRDMT1, RPS28 NPC1 2513/4885RAB9A 3762/4885HTT 2574/4885
US-20070161026-A1 REGENTS LABELED WITH ENERGY TRANSFER DYES SOAT1, GFPT1, CBR3 NPC1 1676/4885RAB9A 2564/4885HTT 3017/4885
US-20170081470-A1 METHODS OF PRODUCING COMPOUNDS FROM 5-(HALOMETHYL)FURFURAL HDHD5, HPD, DCXR NPC1 3798/4885RAB9A 4713/4885HTT 1065/4885

“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.