SCHEMBL25040924

SCHEMBL25040924

CCc1cc(O)cc2ccc(F)c(F)c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 10/20 0.50
▸ ESR2 Q92731 10/20 0.50
▸ BACE1 P56817 1/20 0.34
▸ MMP13 P45452 1/20 0.33
▸ TNIK Q9UKE5 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ GPR84 Q9NQS5 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
SCHEMBL24663179 0.87 ESR1 (0.41) ESR1ESR2LMNATP53MAPT
SCHEMBL26060359 0.85 ESR1 (0.49) ESR1ESR2BACE1KDM4ELMNA
SCHEMBL24755557 0.85 ESR1 (0.49) ESR1ESR2BACE1KDM4ELMNA
SCHEMBL24680259 0.83 ESR1 (0.48) ESR1ESR2BACE1MAPT
SCHEMBL25079756 0.83 ESR1 (0.48) ESR1ESR2BACE1KDM4ELMNA
SCHEMBL26502462 0.81 ESR1 (0.49) ESR1ESR2BACE1KDM4ELMNA
SCHEMBL25808804 0.80 ESR1 (0.45) ESR1ESR2KDM4E
SCHEMBL25040639 0.80 ESR1 (0.45) ESR1ESR2BACE1
SCHEMBL24791895 0.79 ESR1 (0.47) ESR1ESR2BACE1KDM4ELMNA
SCHEMBL27309460 0.79 ELANE (0.35) ESR1ESR2BACE1MAPK1GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF TIGER BIOTHERAPEUTICS INC. 2024-07-04 — — US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2023-11-23 — — US disclosed
WO-2023114733-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-06-22 — — WO disclosed
WO-2023018812-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 — — WO disclosed
WO-2023018809-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 — — WO disclosed
WO-2023018810-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 — — WO 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-20240216516-A1 GLUTARIMIDE-CONTAINING KRAS-MUTANT DEGRADER COMPOUNDS AND USES THEREOF KRAS, VHL, HRAS ESR1 1673/4885ESR2 3118/4885BACE1 743/4885
US-20230374036-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS ESR1 1450/4885ESR2 2324/4885BACE1 2658/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS ESR1 1518/4885ESR2 2178/4885BACE1 868/4885

“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.

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