SCHEMBL16931663

SCHEMBL16931663

c1ccc(C2OCCCO2)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 6/20 0.39
LMNA P02545 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 3/20 0.39

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
SCHEMBL6982003 0.92 ALDH1A1 (0.42) ALDH1A1MAPTKMT2ANPC1RAB9A
Iodomethane SCHEMBL11687901 0.86 ALDH1A1 (0.39) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL31691890 0.77 HRH3 (0.43) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL8647354 0.77 HRH3 (0.43) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL11777192 0.76 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL10632381 0.74 POLB (0.34) ALDH1A1MAPTKDM4EPOLBMAPK1
SCHEMBL31111388 0.73 HRH3 (0.43) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL17594831 0.73 MAPT (0.42) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL11183986 0.73 GFER (0.36) ALDH1A1MAPTKMT2ANPC1RAB9A
SCHEMBL531613 0.72

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-20150210641-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE CORTENDO AB (PUBL) 2015-07-30 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-20150210641-A1 NOVEL CYTOCHROME P450 INHIBITORS AND THEIR METHOD OF USE CYP11B1, CYP11B2, CYP27A1 ALDH1A1 527/4885MAPT 3203/4885KMT2A 3047/4885

“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.