SCHEMBL21100892

SCHEMBL21100892

FC(F)(F)C1=C/C(=C\CCCCCCOCc2ccccc2)c2cc3c(cc21)OCO3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA3 P30101 3/20 0.64
PDIA6 Q15084 3/20 0.64
PDIA4 P13667 2/20 0.45
TXNDC5 Q8NBS9 1/20 0.43
MAOB P27338 4/20 0.36
MAOA P21397 3/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GBA1 P04062 3/20 0.32
UGCG Q16739 3/20 0.32
GBA2 Q9HCG7 3/20 0.32
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL21100891 1.00 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5MAOB
SCHEMBL21100893 0.92 PDIA3 (0.56) PDIA3PDIA6PDIA4TXNDC5MAOB
SCHEMBL21100880 0.91 PDIA3 (0.62) PDIA3PDIA6PDIA4TXNDC5MAOB
SCHEMBL21100884 0.91 PDIA3 (0.62) PDIA3PDIA6PDIA4TXNDC5MAOB
SCHEMBL22030635 0.90 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5MAPT
SCHEMBL25997799 0.90 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5MAPT
SCHEMBL21100885 0.88 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL21100881 0.88 PDIA3 (0.64) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL21100890 0.85 PDIA3 (0.65) PDIA3PDIA6PDIA4TXNDC5TDP1
SCHEMBL21100894 0.85 PDIA3 (0.65) PDIA3PDIA6PDIA4TXNDC5TDP1

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
US-11731952-B2 Indene derivatives and uses thereof MUSC FOUNDATION FOR RESEARCH DEVELOPMENT (US) 2023-08-22 US disclosed
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.