SCHEMBL9868320

SCHEMBL9868320

Cc1cc(C(C)(C)O)on1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
CNR2 P34972 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RET P07949 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.33
EGFR P00533 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
VHL P40337 1/20 0.33

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
SCHEMBL171117 0.81 KMT2A (0.48) HCAR2ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL11971540 0.78 HCAR2 (0.36) HCAR2CNR2ALDH1A1POLBSMN1; SMN2
SCHEMBL28955962 0.78 HCAR2 (0.36) HCAR2CNR2ALDH1A1POLBSMN1; SMN2
SCHEMBL15193549 0.78 HCAR2 (0.36) HCAR2CNR2ALDH1A1POLBSMN1; SMN2
SCHEMBL15194040 0.78 HCAR2 (0.36) HCAR2CNR2ALDH1A1POLBSMN1; SMN2
SCHEMBL20320520 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1POLBSMN1; SMN2
SCHEMBL15473290 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1POLBSMN1; SMN2
SCHEMBL17809490 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1POLBSMN1; SMN2
SCHEMBL2585201 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1MEN1KMT2A
SCHEMBL2585198 0.77 HCAR2 (0.38) HCAR2CNR2ALDH1A1POLBSMN1; 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4021904-B1 ALPHA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-03 EP disclosed
US-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-10-29 US disclosed
WO-2019143994-A1 SUBSTITUTED PYRAZOLYL[4,3-C]PYRIDINECOMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2019-07-25 WO disclosed
WO-2016177686-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO disclosed
US-5017601-A Anti-ulcer 5-(2-substituted ethenyl)-3(2H)-furanones AMERICAN HOME PRODUCTS CORPORATION (US) 1991-05-21 US disclosed
US-5010102-A Anti-ulcer 5-(2-substituted ethenyl)-3(2H)-furanones AMERICAN HOME PRODUCTS CORP. (US) 1991-04-23 US disclosed
US-5001126-A Anti-ulcer 5-(2-substituted ethenyl)-3(2H)-furanones AMERICAN HOME PRODUCTS CORPORATION (US) 1991-03-19 US disclosed
US-4966905-A Anti-ulcer 5-(2-substituted ethenyl)-3-(2H)-furanones AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-30 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-20200339589-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, FGFR3 HCAR2 2784/4885CNR2 4173/4885ALDH1A1 2912/4885

“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.