SCHEMBL2958385

SCHEMBL2958385

CCCCCc1cccc(NCNc2cccc(CCCCC)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.55
▸ S1PR4 O95977 3/20 0.55
▸ S1PR5 Q9H228 3/20 0.55
▸ LPL P06858 3/20 0.51
▸ LIPG Q9Y5X9 3/20 0.51
▸ S1PR3 Q99500 2/20 0.48
▸ HDAC4 P56524 1/20 0.46
▸ MEF2D Q14814 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARA Q07869 1/20 0.43

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
SCHEMBL5253068 0.88 S1PR1 (0.54) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL11410042 0.86 S1PR1 (0.53) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL1068395 0.86 S1PR1 (0.53) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL15946031 0.84 HDAC4 (0.48) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL29767685 0.84 LPL (0.56) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL9418466 0.84 LPL (0.56) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL11871771 0.84 LPL (0.56) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL10793241 0.82 LPL (0.51) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL18631859 0.82 HDAC4 (0.49) S1PR1S1PR4S1PR5LPLLIPG
SCHEMBL9298052 0.81 PPARA (0.57) S1PR1S1PR4S1PR5LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767858-B2 Diimines and secondary diamines ALBEMARLE CORPORATION (US) 2010-08-03 — — US disclosed
US-20080194788-A1 Diimines and Secondary Diamines ALBEMARLE CORPORATION (US) 2008-08-14 — — US disclosed
US-20080033210-A1 DIIMINES AND SECONDARY DIAMINES ALBEMARLE CORPORATION (US) 2008-02-07 — — 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 (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-20080033210-A1 DIIMINES AND SECONDARY DIAMINES DDT, DDC, AOC1 S1PR1 3862/4885S1PR4 4324/4885S1PR5 4033/4885
US-20080194788-A1 Diimines and Secondary Diamines DDT, DDC, AOC1 S1PR1 3780/4885S1PR4 4239/4885S1PR5 3794/4885

“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.

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