SCHEMBL21064822

SCHEMBL21064822

CCCCCCCC/C=C1/C=C(C(F)(F)F)c2cc(O)c(O)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDIA3 P30101 3/20 1.00
PDIA6 Q15084 3/20 1.00
PDIA4 P13667 2/20 1.00
TXNDC5 Q8NBS9 1/20 1.00
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
IDE P14735 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL21100897 1.00 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5KDM4E
SCHEMBL21100872 1.00 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5KDM4E
SCHEMBL21100899 1.00 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5KDM4E
SCHEMBL21100901 0.94 PDIA3 (0.89) PDIA3PDIA6PDIA4TXNDC5NPC1
SCHEMBL21100898 0.94 PDIA3 (0.89) PDIA3PDIA6PDIA4TXNDC5NPC1
SCHEMBL25997758 0.92 PDIA3 (0.85) PDIA3PDIA6PDIA4TXNDC5KDM4E
SCHEMBL21101061 0.85 PDIA3 (0.74) PDIA3PDIA6PDIA4TXNDC5KDM4E
SCHEMBL21100878 0.85 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5CYP1A2
SCHEMBL21064818 0.85 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5CYP1A2
SCHEMBL21064814 0.85 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3676242-B1 INDENE DERIVATIVES AND USES THEREOF MUSC FOUND FOR RES DEV (US) 2024-03-06 EP disclosed
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-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-20200165182-A1 INDENE DERIVATIVES AND USES THEREOF Leukogene Therapeutics Incorporated 2020-05-28 US disclosed
CN-111148732-A Indene derivatives and use thereof MUSC研究发展基金会 2020-05-12 CN disclosed
US-10329269-B2 Indene derivatives and uses thereof Leukogene Therapeutics Incorporated (US) 2019-06-25 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.