SCHEMBL9891697

SCHEMBL9891697

Cc1ccc(Cc2ccc(N(c3ccc(COC4CCCCO4)cc3)c3ccc(COC4CCCCO4)cc3)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.37
SELE P16581 1/20 0.37
CREBBP Q92793 2/20 0.36
CNR1 P21554 3/20 0.35
CNR2 P34972 3/20 0.35
TACR1 P25103 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DRD4 P21917 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
EP300 Q09472 1/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NAAA Q02083 1/20 0.32

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
SCHEMBL14952680 1.00 ICAM1 (0.37) ICAM1SELECREBBPCNR1CNR2
SCHEMBL14952710 0.96 ICAM1 (0.38) ICAM1SELECREBBPCNR1CNR2
SCHEMBL9891694 0.94 ICAM1 (0.39) ICAM1SELECREBBPTACR1MEN1
SCHEMBL15373278 0.93 NAAA (0.40) ICAM1SELECREBBPCNR1CNR2
SCHEMBL14952712 0.93 ICAM1 (0.37) ICAM1SELECREBBPCNR1CNR2
SCHEMBL14952867 0.90 ICAM1 (0.43) ICAM1SELECREBBPCNR1CNR2
SCHEMBL15831445 0.90 ICAM1 (0.38) ICAM1SELECREBBPMEN1KMT2A
SCHEMBL14650422 0.90 ICAM1 (0.38) ICAM1SELECREBBPMEN1KMT2A
SCHEMBL14650387 0.89 ICAM1 (0.41) ICAM1SELECREBBPTACR1MEN1
SCHEMBL15373364 0.89 ICAM1 (0.37) ICAM1SELECREBBPCNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8912348-B2 Tetrahydropyranyl compound and method for producing the tetrahydropyranyl compound RICOH COMPANY, LTD. (JP) 2014-12-16 US disclosed
US-20120142948-A1 TETRAHYDROPYRANYL COMPOUND AND METHOD FOR PRODUCING THE TETRAHYDROPYRANYL COMPOUND RICOH COMPANY, LTD. (JP) 2012-06-07 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 (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-20120142948-A1 TETRAHYDROPYRANYL COMPOUND AND METHOD FOR PRODUCING THE TETRAHYDROPYRANYL COMPOUND CYP4A11, CYP11B1, CYP11B2 ICAM1 4603/4885SELE 4853/4885CREBBP 1410/4885

“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.