SCHEMBL4229113

SCHEMBL4229113

Cc1ccc(OCC(C)C)cc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
ADRB1 P08588 1/20 0.46
PTGS1 P23219 2/20 0.46
TRPA1 O75762 1/20 0.46
CACNA1C Q13936 1/20 0.46
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
PDK2 Q15119 1/20 0.41
MAOA P21397 1/20 0.41
XDH P47989 1/20 0.41
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SCN5A Q14524 1/20 0.40
FFAR1 O14842 1/20 0.40
PPARD Q03181 1/20 0.40
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL3720155 0.85 ADRB2 (0.46) ADRB2ADRB1LMNAPOLBMAPT
SCHEMBL339174 0.85 PDK2 (0.50) ADRB2ADRB1PTGS1LMNAPOLB
SCHEMBL1083387 0.85 ADRB2 (0.61) ADRB2ADRB1PTGS1TRPA1LMNA
SCHEMBL8483862 0.82 TDP1 (0.47) LMNAPOLBMAPTHPGDMAOA
SCHEMBL4957636 0.81 ALDH1A1 (0.47) ADRB2ADRB1PTGS1LMNAPOLB
SCHEMBL17540921 0.80 KMT2A (0.46) ADRB2ADRB1LMNAPOLBMAPT
SCHEMBL28221888 0.79 ADRB2 (0.47) ADRB2ADRB1LMNAPOLBMAPT
SCHEMBL4229019 0.79 LTA4H (0.53) LMNAMAPTHPGDXBP1KMT2A
SCHEMBL3173896 0.78 SLC6A2 (0.58) ADRB2ADRB1PTGS1LMNAPOLB
SCHEMBL4237584 0.78 ALDH1A1 (0.43) LMNAPOLBMAPTHPGDXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4289823-A1 SUBSTITUTED PYRIDAZINE PHENOL DERIVATIVES Medshine Discovery Inc. (CN) 2023-12-13 EP disclosed
US-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists TAKEDA CAMBRIDGE LIMITED (GB) 2009-08-20 US disclosed
EP-1896465-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS Takeda Cambridge Limited (GB) 2008-03-12 EP disclosed
WO-2007000582-A1 HETEROCYCLIC NON-PEPTIDE GNRH ANTAGONISTS TAKEDA CAMBRIDGE LIMITED (GB) 2007-01-04 WO 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-20090209522-A1 Heterocyclic Non-Peptide GNRH Antagonists GNRHR, GHRHR, FSHR ADRB2 351/4885ADRB1 612/4885PTGS1 2635/4885

“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.