SCHEMBL6401741

SCHEMBL6401741

CCCC1CCc2ccc(F)c(F)c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
FYN P06241 1/20 0.34
DRD2 P14416 5/20 0.34
DRD3 P35462 4/20 0.34
CYP2D6 P10635 2/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
PKM P14618 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.33
PMP22 Q01453 2/20 0.33
GLA P06280 1/20 0.33
APEX1 P27695 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 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
SCHEMBL1142357 0.84 TLR4 (0.36) HTR1DHTR1BFYNDRD2DRD3
SCHEMBL6402937 0.76 FYN (0.36) HTR1DHTR1BFYNALDH1A1MAPT
SCHEMBL14525847 0.76 HTR1D (0.40) HTR1DHTR1BDRD2DRD3CYP2D6
SCHEMBL14526552 0.76 HTR1D (0.40) HTR1DHTR1BDRD2DRD3CYP2D6
SCHEMBL14959161 0.75 HTR1D (0.33) HTR1DHTR1BDRD2DRD3TSHR
SCHEMBL15684658 0.75 HTR1D (0.36) HTR1DHTR1BDRD2DRD3CYP2D6
SCHEMBL18084735 0.75 HTR1D (0.37) HTR1DHTR1BFYNCYP2D6ALDH1A1
SCHEMBL6157914 0.74 HTR1D (0.40) HTR1DHTR1BFYNCYP2D6CYP1A2
SCHEMBL14526426 0.74 HTR1D (0.38) HTR1DHTR1BFYNDRD2DRD3
SCHEMBL6157092 0.73 DRD2 (0.47) HTR1DHTR1BFYNDRD2DRD3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050133762-A1 Liquid crystalline compound having high optical anisotropy and liquid crystalline composition comprising the same SAMSUNG ELECTRONIC CO., LTD. (KR) 2005-06-23 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-20050133762-A1 Liquid crystalline compound having high optical anisotropy and liquid crystalline composition comprising the same KIF23, CDK13, KIF11 HTR1D 3264/4885HTR1B 3987/4885FYN 751/4885

“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.