SCHEMBL26501439

SCHEMBL26501439

CCc1c(C)ccc2cc(O)cc(C(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32
▸ HSP90AB1 P08238 2/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL26506277 0.86 HSP90AB1 (0.38) TRPA1LMNAPTGS1CHRM1SLC6A2
SCHEMBL24630608 0.83 ESR1 (0.37) ESR1ESR2HSP90AB1HSP90AA1GABRA1
SCHEMBL26516809 0.82 ESR1 (0.37) CHRM1ADRA1AHTR2BESR1ESR2
SCHEMBL26058893 0.80 LMNA (0.36) TRPA1LMNAPTGS1CACNA1CCHRM1
SCHEMBL27062916 0.79 HTR2B (0.41) TRPA1LMNAPTGS1CACNA1CCHRM1
SCHEMBL27052247 0.78 HDAC3 (0.35) TRPA1LMNAPTGS1CACNA1CCHRM1
SCHEMBL25079723 0.75 ESR1 (0.32) ESR1ESR2
SCHEMBL25081805 0.74 TRPA1 (0.32) TRPA1LMNAPTGS1CACNA1CCHRM1
SCHEMBL25905423 0.73 CYP1A2 (0.41) TRPA1LMNAPTGS1CHRM1SLC6A2
SCHEMBL24680252 0.73 GABRA1 (0.41) LMNAPTGS1SLC6A2HTR2BHSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 — — US disclosed
US-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 — — 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 (2 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS TRPA1 4853/4885LMNA 2481/4885PTGS1 3810/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS TRPA1 4074/4885LMNA 2462/4885PTGS1 2394/4885

“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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