SCHEMBL3011707

SCHEMBL3011707

CCCCOC1=C(OCCCC)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR5A1 Q13285 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP2D6 P10635 2/20 0.39
CYP3A4 P08684 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 3/20 0.37
CHRM2 P08172 1/20 0.37

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
SCHEMBL8084978 0.87 LMNA (0.41) LTA4HTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL16158023 0.79 GAA (0.39) TSHRNPC1CA12CA1CA2
SCHEMBL18826201 0.77 LMNA (0.38) TSHRCYP1A2CYP2D6NPC1CA12
SCHEMBL11121933 0.77 TSHR (0.42) LTA4HTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL10692851 0.73 LTA4H (0.46) LTA4HTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL30605677 0.73 LTA4H (0.46) LTA4HTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL4389326 0.73 TSHR (0.33) LTA4HTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL198495 0.72 TSHR (0.46) LTA4HTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL11840842 0.72 TSHR (0.46) LTA4HTSHRCYP1A2CYP2C9CYP2C19
SCHEMBL28285843 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014170681-A9 OLIGOSACCHARIDE CONJUGATES AND METHODS OF USE THE SECRETARY OF STATE FOR ENVIRONMENT, FOOD AND RURAL AFFAIRS (GB) 2015-01-15 WO disclosed
US-8193366-B2 Cyanine compounds ADEKA CORPORATION (JP) 2012-06-05 US disclosed
US-20100204474-A1 CYANINE COMPOUNDS ADEKA CORPORATION (JP) 2010-08-12 US disclosed
US-7745632-B2 Cyanine compounds, optical filters, and optical recording materials ADEKA CORPORATION (JP) 2010-06-29 US disclosed
US-20080207918-A1 Cyanine Compounds, Optical Filters, and Optical Recording Materials ADEKA CORPORATION (JP) 2008-08-28 US disclosed
EP-1867682-A1 CYANINE COMPOUNDS, OPTICAL FILTERS AND OPTICAL RECORDING MATERIALS Adeka Corporation (JP) 2007-12-19 EP 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 (2 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-20080207918-A1 Cyanine Compounds, Optical Filters, and Optical Recording Materials KCNQ4, KCNQ3, KCNQ1 LTA4H 3652/4885TSHR 3980/4885CYP1A2 153/4885
US-20100204474-A1 CYANINE COMPOUNDS CYB5R3, KCNQ4, YBX1 LTA4H 4535/4885TSHR 3976/4885CYP1A2 26/4885

“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.