SCHEMBL23915344

SCHEMBL23915344

CC(C)(C)OC(=O)/C=C1/OC(=O)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 4/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
TRPA1 O75762 1/20 0.45
HPGD P15428 4/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL23909087 1.00 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL23909086 1.00 ALDH1A1 (0.47) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL19565773 0.84 KDM4E (0.33) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL15217605 0.84 KDM4E (0.33) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL23914735 0.84 KDM4E (0.40) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL23915504 0.83 RAB9A (0.35) ALDH1A1LMNATDP1KMT2AMEN1
SCHEMBL23914731 0.81 ALDH1A1 (0.55) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL15217608 0.78 MEN1 (0.30) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL19565774 0.78 MEN1 (0.30) ALDH1A1LMNAHPGDKMT2AMEN1
SCHEMBL15217612 0.78 MEN1 (0.30) ALDH1A1LMNAHPGDKMT2AMEN1

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 ALDH1A1 944/4885TSHR 588/4885MAPK1 1776/4885

“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.