SCHEMBL9907013

SCHEMBL9907013

CC[C@](C)(O)c1ccc(I)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.39
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 1/20 0.37
ESR1 P03372 5/20 0.37
ESR2 Q92731 5/20 0.37
ABCC9 O60706 1/20 0.35
KCNJ11 Q14654 1/20 0.35
SHBG P04278 1/20 0.34
AOC3 Q16853 1/20 0.34
AR P10275 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
VDR P11473 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
ATM Q13315 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
SCHEMBL15142926 1.00 APP (0.39) APPNPC1RAB9AMAPTESR1
SCHEMBL7574539 0.88 ESR1 (0.44) NPC1RAB9AMAPTESR1ESR2
SCHEMBL19690199 0.82 APP (0.39) APPESR1ESR2SHBGAOC3
SCHEMBL18545312 0.82 APP (0.39) APPESR1ESR2SHBGAOC3
SCHEMBL6282371 0.81 APP (0.41) APPNPC1RAB9AMAPTESR1
SCHEMBL28121057 0.81 LMNA (0.50) NPC1RAB9AMAPTESR1ESR2
SCHEMBL10799993 0.81 ESR1 (0.39) NPC1RAB9AMAPTESR1ESR2
SCHEMBL3703684 0.80 TAAR1 (0.40) APPMAPTESR1ESR2SHBG
SCHEMBL3703681 0.80 TAAR1 (0.40) APPMAPTESR1ESR2SHBG
SCHEMBL27847881 0.80 APP (0.38) APPESR1ESR2SHBGAOC3

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-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 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-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA APP 4182/4885NPC1 3742/4885RAB9A 1774/4885

“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.