SCHEMBL6059291

SCHEMBL6059291

COc1ccc2cc(C3CC=CCC3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.46
SLC6A2 P23975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2D6 P10635 1/20 0.41
KCNH2 Q12809 1/20 0.41
FDFT1 P37268 1/20 0.40
HTR2C P28335 2/20 0.39
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL27546048 0.85 DRD2 (0.45) RAB9AMEN1MAPK1KMT2ADRD2
SCHEMBL27545973 0.78 ALDH1A1 (0.41) SLC6A4SLC6A2SLC6A3HTR2CRAB9A
SCHEMBL1628502 0.78 SLC6A2 (0.51) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
SCHEMBL6399792 0.78 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3CYP1A2CYP2D6
SCHEMBL3172248 0.77 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
SCHEMBL18244743 0.76 DRD2 (0.43) MEN1MAPK1KMT2ADRD2CA12
SCHEMBL11140195 0.76 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
SCHEMBL11140216 0.76 SLC6A4 (0.49) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
SCHEMBL5584464 0.74 SLC6A2 (0.48) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6
SCHEMBL5584716 0.74 HTR2C (0.69) SLC6A4SLC6A2SLC6A3CYP1A2CYP2A6

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-7145047-B2 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-12-05 US disclosed
US-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2003-07-24 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-20030136944-A1 Naphthalene derivative and liquid crystal composition comprising the same NLK, NOTCH1, NOTCH4 SLC6A4 2035/4885SLC6A2 1663/4885SLC6A3 2102/4885

“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.