SCHEMBL17637042

SCHEMBL17637042

CCCCN(CCCC)CC(O)COc1ccc(C(C)(C)c2ccc(OCC(COc3ccc(C(C)(C)c4ccc(OCC(COc5ccc(C(C)(C)c6ccc(OCC(O)CN(CCCC)CCCC)cc6)cc5)OC(=O)Nc5ccccc5)cc4)cc3)OC(=O)Nc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.55
▸ POLB P06746 1/20 0.55
▸ KDM4E B2RXH2 3/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ALDH1A1 P00352 5/20 0.46
▸ HTT P42858 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ AR P10275 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ FAAH O00519 3/20 0.40

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
SCHEMBL17637038 0.85 POLB (0.40) NPSR1POLBKDM4EMAPK1TDP1
SCHEMBL10014726 0.83 KMT2A (0.54) KDM4EALDH1A1HTTKMT2AMEN1
SCHEMBL18120597 0.82 KDM4E (0.71) NPSR1POLBKDM4EMAPK1TDP1
SCHEMBL14537561 0.78 LMNA (0.51) KDM4EALDH1A1HTTKMT2AMEN1
SCHEMBL10014727 0.77 MEN1 (0.50) KDM4ETDP1ALDH1A1HTTKMT2A
SCHEMBL17637037 0.75 KMT2A (0.61) NPSR1KDM4EMAPK1TDP1ALDH1A1
SCHEMBL6931910 0.72 MAPK1 (0.69) NPSR1POLBKDM4EMAPK1TDP1
SCHEMBL13863485 0.71 AR (0.48) KDM4ETDP1ALDH1A1HTTKMT2A
SCHEMBL13299368 0.71 ABCB1 (0.67) NPSR1POLBKDM4EMAPK1TDP1
SCHEMBL22104295 0.70 HTT (0.59) POLBKDM4EMAPK1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10040896-B2 Silane functionalized compounds and compositions thereof Hexion, Inc. (US) 2018-08-07 — — US disclosed
US-10040896-B2 Silane functionalized compounds and compositions thereof Hexion, Inc. (US) 2018-08-07 — — US disclosed
US-20160090439-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2016-03-31 — — US disclosed
US-20160090439-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. 2016-03-31 — — 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-20160090439-A1 SILANE FUNCTIONALIZED COMPOUNDS AND COMPOSITIONS THEREOF ILK, CAD, CAPG NPSR1 982/4885POLB 3996/4885KDM4E 1221/4885
US-10040896-B2 Silane functionalized compounds and compositions thereof ILK, CAD, CAPG NPSR1 982/4885POLB 3996/4885KDM4E 1221/4885

“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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