SCHEMBL21100880

SCHEMBL21100880

FC(F)(F)C1=C/C(=C\CCCCCCOCc2ccc(C(F)(F)F)cc2)c2cc3c(cc21)OCO3

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDIA3 P30101 3/20 0.62
PDIA6 Q15084 3/20 0.62
PDIA4 P13667 2/20 0.44
TXNDC5 Q8NBS9 1/20 0.43
GBA1 P04062 3/20 0.35
UGCG Q16739 3/20 0.35
GBA2 Q9HCG7 3/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PREP P48147 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
POLB P06746 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FAAH O00519 1/20 0.31
IDO1 P14902 1/20 0.30
BRS3 P32247 1/20 0.30

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
SCHEMBL21100884 1.00 PDIA3 (0.62) PDIA3PDIA6PDIA4TXNDC5GBA1
SCHEMBL22030635 0.91 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5GBA1
SCHEMBL25997799 0.91 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5GBA1
SCHEMBL21100891 0.91 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5GBA1
SCHEMBL21100892 0.91 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5GBA1
SCHEMBL21100885 0.87 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL21100881 0.87 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL21100893 0.83 PDIA3 (0.56) PDIA3PDIA6PDIA4TXNDC5MAOA
SCHEMBL21064820 0.78 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL22030264 0.78 PDIA3 (0.78) PDIA3PDIA6PDIA4TXNDC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11731952-B2 Indene derivatives and uses thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2023-08-22 US disclosed
US-20200165182-A1 INDENE DERIVATIVES AND USES THEREOF Leukogene Therapeutics Incorporated 2020-05-28 US disclosed
US-10329269-B2 Indene derivatives and uses thereof Leukogene Therapeutics Incorporated (US) 2019-06-25 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 (3 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-20200165182-A1 INDENE DERIVATIVES AND USES THEREOF CYP11B2, CYP1B1, CYP3A5 PDIA3 736/4885PDIA6 1350/4885PDIA4 1280/4885
US-11731952-B2 Indene derivatives and uses thereof CYP11B2, CYP1B1, CYP3A5 PDIA3 736/4885PDIA6 1350/4885PDIA4 1280/4885
US-10329269-B2 Indene derivatives and uses thereof CYP11B2, CYP1B1, CYP3A5 PDIA3 736/4885PDIA6 1350/4885PDIA4 1280/4885

“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.