SCHEMBL22091903

SCHEMBL22091903

COC(=O)CCCCCCCCCCCCCOc1c2ccccc2c(OCCCCCCCCCCCCCC(=O)OC)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.53
▸ PPARG P37231 2/20 0.51
▸ LTB4R Q15722 1/20 0.51
▸ HDAC1 Q13547 6/20 0.50
▸ HDAC2 Q92769 6/20 0.50
▸ HDAC3 O15379 5/20 0.50
▸ HDAC4 P56524 5/20 0.50
▸ HDAC7 Q8WUI4 5/20 0.50
▸ HDAC10 Q969S8 5/20 0.50
▸ HDAC11 Q96DB2 5/20 0.50
▸ HDAC8 Q9BY41 5/20 0.50
▸ HDAC6 Q9UBN7 5/20 0.50
▸ HDAC9 Q9UKV0 5/20 0.50
▸ HDAC5 Q9UQL6 5/20 0.50
▸ PPARA Q07869 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46

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
SCHEMBL31081192 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL31081001 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL22091813 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL22091769 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL22091782 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL22091843 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL22092125 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL22091917 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL22091777 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2
SCHEMBL31081254 1.00 CNR2 (0.53) CNR2PPARGLTB4RHDAC1HDAC2

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 7 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
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 CNR2 1596/4885PPARG 2187/4885LTB4R 97/4885
US-20220106254-A1 MIGRATION-RESISTANT PHOTOPOLYMERIZATION SENSITIZER F12, F10, PCNA CNR2 1596/4885PPARG 2187/4885LTB4R 97/4885

“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.

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