SCHEMBL2827686

SCHEMBL2827686

CC(C)c1cc(-c2ccccc2)n(Cc2ccc(CO)cc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.45
FYN P06241 3/20 0.43
MALT1 Q9UDY8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
NR1H2 P55055 1/20 0.41
KCNJ6 P48051 1/20 0.41
KCNJ5 P48544 1/20 0.41
KCNJ3 P48549 1/20 0.41
PHGDH O43175 1/20 0.41
MARS1 P56192 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
MCTS1 Q9ULC4 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 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
SCHEMBL2828428 0.84 HDAC3 (0.52) SLC16A3FYNMALT1HDAC6KCNJ6
SCHEMBL3631457 0.82 SMN1; SMN2 (0.56) SLC16A3FYNSMN1; SMN2CYP1A2CYP2C9
SCHEMBL2825591 0.80 GRN (0.56) SLC16A3HDAC6SMN1; SMN2CYP1A2CYP2C9
SCHEMBL27992973 0.79 SLC16A3 (0.47) SLC16A3MALT1HDAC6NR1H2MARS1
SCHEMBL2225688 0.78 SLC16A3 (0.59) SLC16A3MALT1HDAC6MARS1SMN1; SMN2
SCHEMBL2824124 0.74 FFAR1 (0.60)
SCHEMBL2825520 0.73 SMN1; SMN2 (0.54) HDAC6SMN1; SMN2CYP1A2CYP2C9MEN1
SCHEMBL19869344 0.72 GRN (0.46) SLC16A3KCNJ6KCNJ5KCNJ3SMN1; SMN2
SCHEMBL19531685 0.71 KDM4E (0.47) KCNJ6KCNJ5KCNJ3SMN1; SMN2MEN1
SCHEMBL28835323 0.71 KCNJ6 (0.49) KCNJ6KCNJ5KCNJ3SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731505-B1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2015-01-14 EP disclosed
EP-2253315-A1 Alkoxyphenylpropanoic acid derivatives Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-7517910-B2 Alkoxyphenylpropanoic acid derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-14 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
US-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-09-13 US disclosed
EP-1731505-A1 ALKOXYPHENYLPROPANOIC ACID DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2006-12-13 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-20070213364-A1 Alkoxyphenylpropanoic Acid Derivatives GPR119, FFAR1, GPR55 SLC16A3 124/4885FYN 3363/4885MALT1 3141/4885

“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.