SCHEMBL22091908

SCHEMBL22091908

CCc1ccc2c(OC(C)CC(=O)OC(C)C)c3ccccc3c(OC(C)CC(=O)OC(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LMNA P02545 4/20 0.40
PRNP P04156 2/20 0.40
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
KIF11 P52732 1/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL22091860 0.89 MAPT (0.40) TSHRLMNAPRNPALDH1A1L3MBTL1
SCHEMBL22092127 0.88 ALDH1A1 (0.40) TSHRPRNPALDH1A1MEN1KMT2A
SCHEMBL22091798 0.87 TUBB4A (0.44) TSHRLMNAPSEN1PSEN2APH1B
SCHEMBL22091801 0.87 TSHR (0.49) TSHRLMNAPRNPALDH1A1MEN1
SCHEMBL22091789 0.85 CA2 (0.36) LMNAALDH1A1L3MBTL1SMN1; SMN2PSEN1
SCHEMBL22091783 0.84 ABCB11 (0.41) TSHRLMNAPRNPALDH1A1MEN1
SCHEMBL22091770 0.83 TSHR (0.41) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL21883675 0.82 MAPT (0.47) TSHRLMNAPRNPALDH1A1MEN1
SCHEMBL15513563 0.79 KIF11 (0.45) LMNAALDH1A1L3MBTL1SMN1; SMN2POLB
SCHEMBL29636419 0.79 KIF11 (0.45) LMNAALDH1A1L3MBTL1SMN1; SMN2POLB

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
CN-113454090-B Compounds having a polycyclic aromatic skeleton and endoperoxide compounds thereof 川崎化成工业株式会社 2024-08-23 CN disclosed
US-12065521-B2 Compound having polycyclic aromatic skeleton, and endoperoxide compound of same KAWASAKI KASEI CHEMICALS LTD. (JP) 2024-08-20 US disclosed
US-11958802-B2 Migration-resistant photopolymerization sensitizer KAWASAKI KASEI CHEMICALS LTD. (JP) 2024-04-16 US disclosed
CN-113166036-B Photopolymerizing sensitizers with migration resistance 川崎化成工业株式会社 2023-10-10 CN disclosed
US-20220127385-A1 COMPOUND HAVING POLYCYCLIC AROMATIC SKELETON, AND ENDOPEROXIDE COMPOUND OF SAME KAWASAKI KASEI CHEMICALS LTD. (JP) 2022-04-28 US disclosed
US-20220106254-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER KAWASAKI KASEI CHEMICALS LTD. (JP) 2022-04-07 US disclosed
WO-2020121384-A1 PHOTOPOLYMERIZATION SENSITIZER HAVING MIGRATION RESISTANCE 川崎化成工業株式会社 2020-06-18 WO disclosed
WO-2020121544-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER 川崎化成工業株式会社 2020-06-18 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 (2 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-11958802-B2 Migration-resistant photopolymerization sensitizer F12, F10, PCNA TSHR 2947/4885LMNA 54/4885PRNP 2777/4885
US-20220106254-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER F12, F10, PCNA TSHR 2947/4885LMNA 54/4885PRNP 2777/4885

“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.