SCHEMBL12116286

SCHEMBL12116286

CC1(C)c2cc(N(c3ccccc3)c3ccccc3)ccc2-c2cc3sc4cc(N(c5ccccc5)c5ccccc5)ccc4c3cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDK2 Q15119 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL12116282 0.94 ALDH1A1 (0.39) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL12117189 0.92 ALDH1A1 (0.33) ALDH1A1MAPTTDP1L3MBTL1KDM4E
SCHEMBL14295396 0.91 ALDH1A1 (0.39) ABCB1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL12116283 0.90
SCHEMBL24406530 0.89 ALDH1A1 (0.36) ABCB1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL21128923 0.89 ABCB1 (0.32) ABCB1
SCHEMBL21281949 0.89 PDK2 (0.35) ABCB1ALDH1A1MAPTPDK2HPGD
SCHEMBL21791173 0.88 ALDH1A1 (0.36) ABCB1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL19760308 0.88 PDK2 (0.32) PDK2
SCHEMBL21863076 0.86 ABCB1 (0.35) ABCB1PDK2

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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 US disclosed
US-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-11-10 US disclosed
WO-2010083873-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-07-29 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-20110272685-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, SLCO2A1, SLCO2B1 ABCB1 87/4885ALDH1A1 975/4885MAPT 1537/4885

“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.