SCHEMBL6487113

SCHEMBL6487113

COc1ccc(C(=O)O)cc1CCCN(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.58
HTR1B P28222 2/20 0.58
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.53
PKM P14618 1/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
CA6 P23280 1/20 0.53
CA7 P43166 1/20 0.53
TPMT P51580 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
TSHR P16473 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49

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
Hydrochloric Acid SCHEMBL6500306 0.90 MEN1 (0.58) HTR1DHTR1BMEN1ALDH1A1KMT2A
SCHEMBL6488478 0.87 HTR1D (0.57) HTR1DHTR1BMEN1ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL6502515 0.86 HTR1D (0.56) HTR1DHTR1BMEN1ALDH1A1KMT2A
SCHEMBL6498021 0.84 HTR1D (0.81) HTR1DHTR1BMEN1ALDH1A1KMT2A
SCHEMBL18280632 0.83 ALDH1A1 (0.74) MEN1ALDH1A1KMT2APOLBPKM
SCHEMBL13434199 0.82 CA12 (0.56) MEN1ALDH1A1KMT2APKMCA12
SCHEMBL2936640 0.82 CA12 (0.56) MEN1ALDH1A1KMT2APKMCA12
SCHEMBL8085144 0.81 PPARA (0.58) ALDH1A1CA12CA1CA2CA4
SCHEMBL6496879 0.81 HTR1D (0.69) HTR1DHTR1BMEN1ALDH1A1KMT2A
SCHEMBL3547262 0.80 CA12 (0.61) MEN1ALDH1A1KMT2APKMCA12

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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors GLAXO GROUP LIMITED (GB) 2005-03-24 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-20050065195-A1 Oxadiazolyl-biphenylcarboxamides and their use as p38 kinase inhibitors MAPK3, MAPK1, MAPKAPK3 HTR1D 1697/4885HTR1B 1495/4885MEN1 4379/4885

“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.