SCHEMBL2804367

SCHEMBL2804367

Cc1ccccc1OCCCCCCCCCCCN

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.57
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.50
DRD2 P14416 2/20 0.50
DRD4 P21917 2/20 0.50
TSHR P16473 2/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 3/20 0.49
HTR1B P28222 1/20 0.49
STAT3 P40763 1/20 0.48
DRD3 P35462 1/20 0.47

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
SCHEMBL12230884 1.00 ALDH1A1 (0.57) ALDH1A1CYP2D6CYP2C19LMNAMEN1
SCHEMBL15923371 1.00 ALDH1A1 (0.57) ALDH1A1CYP2D6CYP2C19LMNAMEN1
SCHEMBL10926266 0.92 HTR1B (0.56) ALDH1A1CYP2D6CYP2C19LMNAMEN1
SCHEMBL9808080 0.88 ALDH1A1 (0.62) ALDH1A1CYP2D6CYP2C19LMNAMEN1
SCHEMBL11021541 0.86 RAB9A (0.47) ALDH1A1CYP2D6CYP2C19LMNAMEN1
SCHEMBL3528979 0.86 KDM4E (0.68) ALDH1A1CYP2D6CYP2C19LMNAMAPK1
SCHEMBL11019776 0.85 HTR1B (0.46) ALDH1A1CYP2D6CYP2C19LMNAMEN1
SCHEMBL11679951 0.83 CYP2D6 (0.61) ALDH1A1CYP2D6CYP2C19LMNAMEN1
SCHEMBL11020601 0.83 HTR1B (0.45) ALDH1A1LMNAMEN1MAPK1KMT2A
SCHEMBL22207086 0.82 ALDH1A1 (0.58) ALDH1A1CYP2D6CYP2C19LMNAMEN1

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-8475685-B2 Particle and near-field optical waveguide KABUSHIKI KAISHA TOSHIBA (JP) 2013-07-02 US disclosed
US-20100239219-A1 PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-23 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-20100239219-A1 PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE F2, AHR, CRY1 ALDH1A1 2720/4885CYP2D6 297/4885CYP2C19 146/4885

“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.