SCHEMBL2018116

SCHEMBL2018116

CCCCCC1(c2ccc(-c3ccc(C(=O)Nc4ccc(-c5ccc6c(c5)-c5c(c[c]c7cc(C(F)(F)F)ccc57)C6(C)C)cc4)cc3)cc2)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
FSHR P23945 2/20 0.34
MCHR1 Q99705 3/20 0.33
PLK1 P53350 1/20 0.33
DGAT1 O75907 2/20 0.32
PLG P00747 2/20 0.32
PLAU P00749 2/20 0.32
PLAT P00750 2/20 0.32
TRPA1 O75762 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL1961022 0.89 CNR1 (0.37) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2018115 0.83 P2RY14 (0.39) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1962784 0.78 CNR1 (0.38) CNR1CNR2FSHRMCHR1
SCHEMBL8772192 0.71 P2RY14 (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1961020 0.71 P2RY14 (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6113741 0.69 CNR1 (0.34) MAPTALDH1A1MEN1KMT2ACNR1
SCHEMBL6113620 0.69 P2RY14 (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6113618 0.69 P2RY14 (0.40) MAPTALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL10453441 0.68 SLC6A3 (0.59) CNR1CNR2SLC6A4SLC6A3
SCHEMBL2017902 0.66 CA1 (0.52) MAPTALDH1A1SMN1; SMN2MEN1KMT2A

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-8545984-B2 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2013-10-01 US disclosed
US-20110129678-A1 Photochromic compounds and compositions TRANSITIONS OPTICAL, INC. (US) 2011-06-02 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-20110129678-A1 Photochromic compounds and compositions CRY2, CRY1, PPOX MAPT 573/4885ALDH1A1 1243/4885SMN1; SMN2 4030/4885

“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.