SCHEMBL9892953

SCHEMBL9892953

COc1ccc(N(c2ccc(Cc3ccc(N(c4ccc(CO)cc4)c4ccc(CO)cc4)cc3)cc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
IDO1 P14902 2/20 0.42
AOC3 Q16853 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CALM1 P0DP23 1/20 0.41
NR1I2 O75469 1/20 0.40
AGXT P21549 1/20 0.40
CYP2D6 P10635 1/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTT P42858 1/20 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
SCHEMBL13884019 0.95 LTA4H (0.49) LTA4HSAE1UBA2IDO1AOC3
SCHEMBL11890477 0.95 LTA4H (0.49) LTA4HSAE1UBA2AOC3CALM1
SCHEMBL3929503 0.94 IDO1 (0.47) LTA4HIDO1AOC3ALDH1A1CYP3A4
SCHEMBL12732320 0.94 IDO1 (0.47) LTA4HIDO1AOC3ALDH1A1CYP3A4
SCHEMBL10062238 0.94 IDO1 (0.47) LTA4HIDO1AOC3ALDH1A1CYP3A4
SCHEMBL806274 0.94 LTA4H (0.47) LTA4HSAE1UBA2ALDH1A1MAPK1
SCHEMBL22382224 0.91 LTA4H (0.63) LTA4HSAE1UBA2IDO1AOC3
SCHEMBL12611356 0.89 MAOB (0.49) IDO1AOC3MAPK1CALM1NR1I2
SCHEMBL14769812 0.89 LMNA (0.46) LTA4HIDO1AOC3ALDH1A1CALM1
SCHEMBL12200966 0.89 MAOB (0.49) IDO1AOC3MAPK1CALM1NR1I2

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-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 LTA4H 2147/4885SAE1 2200/4885UBA2 2484/4885

“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.