SCHEMBL565748

SCHEMBL565748

O=C(O)c1ccc(OC[C@H]2CCCO2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
NPC1 O15118 9/20 0.67
SMN1; SMN2 Q16637 6/20 0.67
LMNA P02545 2/20 0.62
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MAPT P10636 2/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
TSHR P16473 1/20 0.59
TP53 P04637 1/20 0.58
PKM P14618 1/20 0.58
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL417903 1.00 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL417902 1.00 RAB9A (0.67) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2886641 0.96 RAB9A (0.69) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL29051144 0.92 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL29051150 0.92 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2443725 0.92 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2453027 0.88 RAB9A (0.53) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL13937031 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL3025474 0.87 RAB9A (0.65) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL16561437 0.85 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383647-B2 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-26 US disclosed
US-20120035213-A1 Quinoline derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED 2012-02-09 US disclosed
EP-2392573-A1 QUINOLINE DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2011-12-07 EP 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-20120035213-A1 Quinoline derivative MC1R, MCHR1, MCHR2 RAB9A 578/4885NPC1 631/4885SMN1; SMN2 3674/4885

“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.