SCHEMBL9975646

SCHEMBL9975646

CCC1(C)CN(c2ccccc2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
FFAR2 O15552 1/20 0.44
CHRNA7 P36544 3/20 0.42
DRD2 P14416 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 2/20 0.38
CYP3A4 P08684 4/20 0.38
HIF1A Q16665 2/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 1/20 0.36
NFKB1 P19838 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 2/20 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
SCHEMBL18436319 0.80 LMNA (0.52) LMNAFFAR2CHRNA7CYP2C19ALDH1A1
SCHEMBL27428201 0.75 LMNA (0.43) LMNACHRNA7DRD2SIGMAR1CYP2C19
SCHEMBL22642510 0.74 SMN1; SMN2 (0.35) FFAR2ALDH1A1MAPTKMT2A
SCHEMBL27621709 0.73 CYP2C19 (0.47) LMNACYP2C19ALDH1A1MAPK1CYP3A4
SCHEMBL9975643 0.71 CHRNA7 (0.46) CHRNA7DRD2SIGMAR1CYP2C19ALDH1A1
SCHEMBL27406182 0.71 LMNA (0.39) LMNACHRNA7DRD2SIGMAR1CYP2C19
SCHEMBL28988333 0.70 LMNA (0.41) LMNACHRNA7DRD2ALDH1A1MAPT
SCHEMBL9975647 0.67 CHRNA7 (0.53) LMNACHRNA7DRD2SIGMAR1CYP2C19
Butanone SCHEMBL27655611 0.67 LMNA (0.63) LMNACHRNA7CYP2C19ALDH1A1MAPT
SCHEMBL22857712 0.66 CYP3A4 (0.50) CHRNA7CYP2C19ALDH1A1MAPK1CYP3A4

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-8945725-B2 Organic electroluminescence device UDC IRELAND LIMITED (IE) 2015-02-03 US disclosed
US-20120153816-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 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-20120153816-A1 ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, LAGE3, LEF1 LMNA 1059/4885FFAR2 4864/4885CHRNA7 870/4885

“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.