SCHEMBL4116259

SCHEMBL4116259

c1ccc(Cc2ccc(-c3ccc(Sc4ccc(-c5ccc(Cc6ccccc6)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.55
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
LTA4H P09960 4/20 0.46
SLC6A4 P31645 1/20 0.46
TAAR1 Q96RJ0 2/20 0.43
IDH1 O75874 1/20 0.42
HTR2C P28335 1/20 0.41
HTR6 P50406 1/20 0.41
LMNA P02545 3/20 0.41
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 2/20 0.41
PRNP P04156 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL13531403 0.98 CALM1 (0.52) CALM1CA12CA1CA2CA9
SCHEMBL21888595 0.98 CALM1 (0.52) CALM1CA12CA1CA2CA9
SCHEMBL534639 0.93 CALM1 (0.63) CALM1CA12CA1CA2CA9
SCHEMBL10707308 0.91 CALM1 (0.60) CALM1LTA4HSLC6A4IDH1HTR2C
SCHEMBL198432 0.85 CALM1 (0.75) CALM1CA12CA1CA2CA9
SCHEMBL27326 0.83 CALM1 (0.71) CALM1CA12CA1CA2CA9
SCHEMBL99594 0.83 SMN1; SMN2 (0.55) CALM1LTA4HSLC6A4LMNANPSR1
SCHEMBL11590694 0.83 NR1H2 (0.58) CALM1SLC6A4IDH1LMNAPLA2G10
Methane SCHEMBL9562367 0.80 CALM1 (0.67) CALM1CA12CA1CA2CA9
SCHEMBL2754909 0.80 MAOA (0.54) SLC6A4TAAR1HTR2CHTR6CYP1A2

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-20090163723-A1 METHOD FOR PRODUCING SULFONIUM FLUORINATED ALKYLFLUOROPHOSPHATE SAN-APRO LIMITED (JP) 2009-06-25 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-20090163723-A1 METHOD FOR PRODUCING SULFONIUM FLUORINATED ALKYLFLUOROPHOSPHATE ARSA, SCO2, DOHH CALM1 3226/4885CA12 284/4885CA1 138/4885

“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.