SCHEMBL6489678

SCHEMBL6489678

CCCCCOc1ccc(Cn2c(OCC)nc3c(C)cc(OCCCC(=O)OCC)cc32)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.41
PLA2G2A P14555 3/20 0.41
CYSLTR2 Q9NS75 2/20 0.40
CYSLTR1 Q9Y271 2/20 0.40
BRD4 O60885 1/20 0.39
P2RX3 P56373 1/20 0.38
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38
P2RY12 Q9H244 1/20 0.38
THRB P10828 2/20 0.36
THRA P10827 1/20 0.36
CNR2 P34972 1/20 0.36
PDK2 Q15119 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36

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
SCHEMBL6503545 0.96 MCL1 (0.43) MCL1PLA2G2ACYSLTR2CYSLTR1BRD4
SCHEMBL6498090 0.92 MCL1 (0.45) MCL1PLA2G2AP2RX3THRBTHRA
SCHEMBL6487942 0.92 MCL1 (0.42) MCL1PLA2G2ACYSLTR2CYSLTR1BRD4
SCHEMBL6490102 0.91 LMNA (0.43) MCL1PLA2G2ACYSLTR2CYSLTR1BRD4
SCHEMBL6487780 0.88 MCL1 (0.47) MCL1PLA2G2APDE3BPDE3AP2RY12
SCHEMBL6488241 0.88 MCL1 (0.43) MCL1PLA2G2ACYSLTR2CYSLTR1BRD4
SCHEMBL6491512 0.84 MCL1 (0.41) MCL1PLA2G2ACYSLTR2CYSLTR1BRD4
SCHEMBL6488487 0.83 PDE2A (0.39) THRBTHRA
SCHEMBL6497204 0.83 DCTPP1 (0.44) MCL1PLA2G2ACYSLTR2CYSLTR1BRD4
SCHEMBL6498711 0.83 MCL1 (0.43) MCL1PLA2G2A

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-20050014812-A1 Benzimidazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-01-20 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-20050014812-A1 Benzimidazole compounds SLC5A1, SLC5A2, G6PD MCL1 806/4885PLA2G2A 4801/4885CYSLTR2 2679/4885

“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.