SCHEMBL1281889

SCHEMBL1281889

CC(C)(C)C(Oc1ccccn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
EDNRB P24530 9/20 0.39
EDNRA P25101 9/20 0.39
POLB P06746 2/20 0.38
PTPRA P18433 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
P4HTM Q9NXG6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PSMB5 P28074 1/20 0.36

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
SCHEMBL5517722 0.78 CYP1A2 (0.50) TSHRPOLBPTPRARAB9ANPC1
SCHEMBL5521719 0.78 LMNA (0.44) TSHRPOLBPTPRARAB9ANPC1
SCHEMBL7037791 0.75 ATM (0.47) EDNRBEDNRARAB9ANPC1ALDH1A1
SCHEMBL10337588 0.75 LMNA (0.41) TSHRPOLBPTPRARAB9ANPC1
SCHEMBL10524022 0.75 LMNA (0.41) TSHRPOLBPTPRARAB9ANPC1
SCHEMBL5515471 0.74 ALDH1A1 (0.55) TSHRPTPRARAB9ANPC1SMN1; SMN2
SCHEMBL11911978 0.74 CYP1A2 (0.38) TSHRPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL4611560 0.73 PPARA (0.43) POLBPTPRARAB9ANPC1SMN1; SMN2
Acetic Acid SCHEMBL28009762 0.73 PDE4A (0.48) TSHRRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL21881598 0.73 PPARA (0.43) POLBPTPRARAB9ANPC1SMN1; SMN2

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-8722662-B2 Heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-13 US disclosed
US-20120088748-A1 HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-12 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-20120088748-A1 HETEROCYCLIC COMPOUNDS SLC6A2, MAOB, MAOA TSHR 757/4885EDNRB 450/4885EDNRA 800/4885

“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.