SCHEMBL25557799

SCHEMBL25557799

CCCC1(COc2ccc(-c3ccc(-c4ccc(C(C)(C)C)cc4)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ APP P05067 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ KIF11 P52732 2/20 0.37
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ NR4A2 P43354 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ EPHX2 P34913 1/20 0.35
▸ NR1H4 Q96RI1 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 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
SCHEMBL20216199 0.75 HRH3 (0.43) SMN1; SMN2KDM4EAPPHRH3LMNA
SCHEMBL13761773 0.73 NQO1 (0.58) SMN1; SMN2KDM4EAPPKIF11LMNA
SCHEMBL8099447 0.73 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EAPPHRH3LMNA
SCHEMBL17830938 0.71 CYP2D6 (0.56) KDM4EHRH3CYP3A4CYP2D6TP53
SCHEMBL678078 0.71 CYP2D6 (0.56) KDM4EHRH3CYP3A4CYP2D6TP53
SCHEMBL29053334 0.71 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EAPPHRH3LMNA
SCHEMBL13165304 0.71 SMN1; SMN2 (0.42) SMN1; SMN2KDM4EAPPHRH3LMNA
SCHEMBL25557802 0.70 RARB (0.58) KDM4EHRH3L3MBTL1CYP3A4CYP2D6
SCHEMBL9158885 0.69 LTA4H (0.40) RAB9A
SCHEMBL12083017 0.69 PPARD (0.47) LMNAATML3MBTL1MAOBAOC3

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-20230159591-A1 ECHINOCANDIN ANALOGUES AND PREPARATION METHOD THEREFOR SHANGHAI SHENGDI PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 — — US disclosed
US-20230159591-A1 ECHINOCANDIN ANALOGUES AND PREPARATION METHOD THEREFOR SHANGHAI SHENGDI PHARMACEUTICAL CO., LTD. (CN) 2023-05-25 — — 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-20230159591-A1 ECHINOCANDIN ANALOGUES AND PREPARATION METHOD THEREFOR ERG28, CYP51A1, WEE1 SMN1; SMN2 4214/4885KDM4E 4016/4885APP 2911/4885

“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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