SCHEMBL21064818

SCHEMBL21064818

CCCCCCCC/C=C1/C=C(C(F)(F)F)c2cc(OC)c(OC)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 0.74
LTA4H P09960 3/20 0.35
HTR1A P08908 3/20 0.34
EPHX2 P34913 1/20 0.32
ALOX5 P09917 3/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2E1 P05181 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2A6 P11509 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2B6 P20813 1/20 0.32
CYP2C19 P33261 1/20 0.32
TRPV1 Q8NER1 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
SCHEMBL21064814 1.00 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5LTA4H
SCHEMBL21100878 1.00 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5LTA4H
SCHEMBL22030257 0.88 PDIA3 (0.79) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL25997760 0.88 PDIA3 (0.79) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL22030255 0.88 PDIA3 (0.79) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL21100877 0.88 PDIA3 (0.79) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL25997759 0.88 PDIA3 (0.79) PDIA3PDIA6PDIA4TXNDC5
SCHEMBL21100872 0.85 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5CYP1A2
SCHEMBL21064822 0.85 PDIA3 (1.00) PDIA3PDIA6PDIA4TXNDC5CYP1A2
SCHEMBL21100899 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.