SCHEMBL8304416

SCHEMBL8304416

Cc1cc(C(=O)O)c(C)n1Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 1.00
KMT2A Q03164 2/20 0.75
MEN1 O00255 1/20 0.75
TSHR P16473 3/20 0.71
S1PR2 O95136 4/20 0.63
ALDH1A1 P00352 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
KLKB1 P03952 3/20 0.60
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
TAAR1 Q96RJ0 1/20 0.57
FABP4 P15090 1/20 0.55
LMNA P02545 1/20 0.54
KLK1 P06870 4/20 0.54

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
SCHEMBL17503889 0.91 NOTUM (0.83) NOTUMKMT2AMEN1TSHRS1PR2
SCHEMBL17503896 0.88 NOTUM (0.78) NOTUMKMT2AMEN1TSHRS1PR2
SCHEMBL15998970 0.88 NOTUM (0.78) NOTUMKMT2AMEN1TSHRS1PR2
SCHEMBL15998965 0.87 NOTUM (0.77) NOTUMKMT2AMEN1TSHRS1PR2
SCHEMBL14886445 0.87 NOTUM (0.77) NOTUMKMT2AMEN1TSHRS1PR2
SCHEMBL17503905 0.87 NOTUM (0.75) NOTUMKMT2AMEN1TSHRS1PR2
SCHEMBL25062489 0.86 NOTUM (0.75) NOTUMKMT2AMEN1TSHRS1PR2
SCHEMBL21332768 0.86 ALDH1A1 (0.77) NOTUMKMT2AMEN1TSHRS1PR2
SCHEMBL17503939 0.86 NOTUM (0.75) NOTUMKMT2AMEN1TSHRKLKB1
SCHEMBL3345961 0.86 MEN1 (1.00) NOTUMKMT2AMEN1TSHRS1PR2

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
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-9266840-B2 Bicyclic heterocyclic compound ASTELLAS PHARMA INC. (JP) 2016-02-23 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
US-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2014-09-04 US disclosed
WO-2013058258-A1 BICYCLIC HETEROCYCLIC COMPOUND アステラス製薬株式会社 (JP) 2013-04-25 WO disclosed
CN-1058490-C Tetrazolinone derivatives BAYER AGROCHEM KK (JP) 2000-11-15 CN disclosed
EP-0695748-B1 Tetrazolinone herbicides BAYER AGROCHEM KK (JP) 1999-05-06 EP disclosed
US-5589439-A HERBICIDES NIHON BAYER AGROCHEM K.K. (JP) 1996-12-31 US disclosed
EP-0695748-A1 Tetrazolinone herbicides NIHON BAYER AGROCHEM K.K. (JP) 1996-02-07 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-20140249151-A1 BICYCLIC HETEROCYCLIC COMPOUND HSD11B1, HSD17B11, HSD17B1 NOTUM 585/4885KMT2A 3204/4885MEN1 3581/4885

“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.