SCHEMBL22204598

SCHEMBL22204598

C=C1CCCCC1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
TP53 P04637 1/20 0.40
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TBXA2R P21731 5/20 0.34
PTGDR Q13258 3/20 0.34
PPARD Q03181 4/20 0.33
PPARA Q07869 1/20 0.33
FOLH1 Q04609 1/20 0.33
FFAR1 O14842 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGB2 P05107 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGB5 P18084 1/20 0.31

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
SCHEMBL31324315 0.82 KDM4E (0.31) KDM4EPOLBALDH1A1MAPTTDP1
SCHEMBL2764882 0.78 KDM4E (0.50) L3MBTL1TP53KDM4EALDH1A1MAPT
SCHEMBL15845130 0.77 PTGS1 (0.31)
SCHEMBL8433568 0.76 KDM4E (0.49) L3MBTL1TP53KDM4EALDH1A1TBXA2R
SCHEMBL10505153 0.76 KDM4E (0.49) L3MBTL1TP53KDM4EALDH1A1MAPT
SCHEMBL3602796 0.76 KDM4E (0.49) L3MBTL1TP53KDM4EALDH1A1MAPT
SCHEMBL11089825 0.76 KDM4E (0.49) L3MBTL1TP53KDM4EALDH1A1MAPT
SCHEMBL11086697 0.76 KDM4E (0.49) L3MBTL1TP53KDM4EALDH1A1MAPT
SCHEMBL6024211 0.75 CYP2D6 (0.43) POLBALDH1A1TDP1
SCHEMBL13652342 0.73 NOS1 (0.33)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3680230-B1 HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF TECHNICAL INST OF PHYSICS AND CHEMISTRY OF THE CHINESE ACADEMY OF SCIENCES (CN) 2022-11-02 EP disclosed
US-11439707-B2 Hypocrellin derivative substituted both in a peri-position and in 2-position by amino, preparation method, and application thereof Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) 2022-09-13 US disclosed
US-20210145968-A1 HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) 2021-05-20 US disclosed
EP-3680230-A1 DERIVATIVES OF HYPOCRELLIN WITH PERI-POSITION AND 2-POSITION SIMULTANEOUSLY SUBSTITUTED BY AMINO GROUPS Technical Institute of Physics and Chemistry of the Chinese Academy of Sciences (CN) 2020-07-15 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 (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-20210145968-A1 HYPOCRELLIN DERIVATIVE SUBSTITUTED BOTH IN A PERI-POSITION AND IN 2-POSITION BY AMINO, PREPARATION METHOD, AND APPLICATION THEREOF HCCS, PPOX, AAAS L3MBTL1 1521/4885TP53 2452/4885KDM4E 973/4885
US-11439707-B2 Hypocrellin derivative substituted both in a peri-position and in 2-position by amino, preparation method, and application thereof PPOX, AAAS, HCCS L3MBTL1 2049/4885TP53 1837/4885KDM4E 773/4885

“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.