SCHEMBL21100901

SCHEMBL21100901

CCCC/C=C1\C=C(C(F)(F)F)c2cc(O)c(O)cc21

nearest known ligand 0.89

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDIA3 P30101 3/20 0.89
PDIA6 Q15084 3/20 0.89
PDIA4 P13667 2/20 0.89
TXNDC5 Q8NBS9 1/20 0.89
NPC1 O15118 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21100898 1.00 PDIA3 (0.89) PDIA3PDIA6PDIA4TXNDC5NPC1
SCHEMBL21064822 0.94 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5NPC1
SCHEMBL21100897 0.94 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5NPC1
SCHEMBL21100872 0.94 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5NPC1
SCHEMBL21100899 0.94 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5NPC1
SCHEMBL25997758 0.87 PDIA3 (0.85) PDIA3PDIA6PDIA4TXNDC5HPGD
SCHEMBL21100772 0.83 PDIA3 (0.68) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL21101061 0.80 PDIA3 (0.74) PDIA3PDIA6PDIA4TXNDC5NPC1
SCHEMBL21064814 0.79 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL21064818 0.79 PDIA3 (1.00) 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 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.