SCHEMBL1611797

SCHEMBL1611797

CCCC/C=[C]\c1cccc2cc3ccccc3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SCN3A Q9NY46 1/20 0.32
OXER1 Q8TDS5 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL1610267 0.95 MAPT (0.35) MEN1KMT2AATMNPC1RAB9A
SCHEMBL1611237 0.94 MAPT (0.37) MEN1KMT2AATMNPC1MAPT
SCHEMBL1609453 0.90 ALDH1A1 (0.34) MEN1KMT2AATMNPC1RAB9A
SCHEMBL27293170 0.87 HTR1B (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1609445 0.87 HTR1B (0.37) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1611119 0.83 ALDH1A1 (0.36) MEN1KMT2AATMRAB9AMAPT
SCHEMBL1610676 0.83 CNR1 (0.38) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1612559 0.81 CHAT (0.40) MEN1KMT2ANPC1RAB9AMAPT
SCHEMBL1610913 0.79 MAPT (0.38) MEN1KMT2AATMNPC1RAB9A
SCHEMBL1610598 0.77 CHAT (0.38) ALDH1A1CYP1A2CYP2D6TDP1

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-20110087034-A1 Organic Semiconductor Material SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2011-04-14 US disclosed
EP-2248818-A1 ORGANIC SEMICONDUCTOR MATERIAL Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP 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-20110087034-A1 Organic Semiconductor Material OR10J3, TST, OR51E2 MEN1 2360/4885KMT2A 557/4885ATM 1470/4885

“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.