SCHEMBL12345238

SCHEMBL12345238

COc1ccc(C2(C(C)=O)CC2)cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
AOX1 Q06278 1/20 0.44
TUBB4A P04350 2/20 0.42
TUBB P07437 2/20 0.42
TUBA3C P0DPH7 2/20 0.42
TUBA1B P68363 2/20 0.42
TUBA4A P68366 2/20 0.42
TUBB4B P68371 2/20 0.42
TUBB3 Q13509 2/20 0.42
TUBB2A Q13885 2/20 0.42
TUBB8 Q3ZCM7 2/20 0.42
TUBA3E Q6PEY2 2/20 0.42
TUBA1A Q71U36 2/20 0.42
TUBA1C Q9BQE3 2/20 0.42
TUBB6 Q9BUF5 2/20 0.42

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
SCHEMBL1465577 0.87 LMNA (0.50) LMNAKMT2AMEN1L3MBTL1GAA
SCHEMBL12345255 0.87 LMNA (0.50) LMNAKMT2AMEN1L3MBTL1GAA
SCHEMBL16867624 0.87 LMNA (0.65) LMNAKMT2AMEN1L3MBTL1GAA
SCHEMBL15196284 0.83 KMT2A (0.41) LMNAKMT2AGAAALDH1A1TSHR
SCHEMBL12266490 0.81 GAA (0.42) LMNAKMT2AMEN1L3MBTL1GAA
SCHEMBL12170294 0.80 LMNA (0.47) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL16509657 0.79 LMNA (0.46) LMNAKMT2AMEN1L3MBTL1GAA
SCHEMBL12170295 0.79 LMNA (0.46) LMNAKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL12740153 0.78 ALDH1A1 (0.49) LMNAKMT2AMEN1GAAALDH1A1
SCHEMBL1721306 0.74 HTT (0.51) LMNAKMT2AMEN1L3MBTL1GAA

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-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-04-27 US disclosed
EP-2016065-B1 1-(BENZO[D][1,3]DIOXOL-5-YL)-N-(PHENYL)CYCLOPROPANE-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS FOR THE TREATMENT OF CYSTIC FIBROSIS VERTEX PHARMA (US) 2012-09-19 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-20230127655-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 LMNA 3455/4885KMT2A 4313/4885MEN1 4687/4885

“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.