SCHEMBL13299808

SCHEMBL13299808

Cc1ccc(C(C)(C)Sc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.44
▸ KIF11 P52732 7/20 0.41
▸ ACHE P22303 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ HPGD P15428 3/20 0.35
▸ MLYCD O95822 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ ESR1 P03372 2/20 0.33

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
SCHEMBL12459981 0.92 KIF11 (0.41) TSHRKIF11ACHELMNAALOX12
SCHEMBL20457552 0.87 ALDH1A1 (0.40) TSHRHPGDSMN1; SMN2KMT2AESR1
SCHEMBL13299807 0.87 MAPK1 (0.42) TSHRHPGDSMN1; SMN2KMT2AESR1
SCHEMBL13299817 0.82 KCNN4 (0.39) KIF11LMNAHPGDL3MBTL1SMN1; SMN2
SCHEMBL13299827 0.82 ALDH1A1 (0.50) TSHRKIF11NPC1RAB9ACES2
SCHEMBL13558183 0.79 TSHR (0.39) TSHRKIF11LMNATDP1L3MBTL1
SCHEMBL13558184 0.79 ALDH1A1 (0.42) LMNAHPGDSMN1; SMN2ESR1ESR2
SCHEMBL13299818 0.79 SLC2A1 (0.44) TSHRHPGDTDP1L3MBTL1NPC1
SCHEMBL13299821 0.79 CA4 (0.46) KIF11SMN1; SMN2NPC1NFKB1RAB9A
SCHEMBL13299811 0.79 KIF11 (0.45) TSHRKIF11ACHELMNAALOX12

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-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 — — US disclosed
US-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2010-06-03 — — 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 (1 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-20100137608-A1 POLY-N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES AND N-HETEROCYCLIC CARBENE TRANSITION METAL COMPLEXES FOR CARBON-SULFUR AND CARBON-OXYGEN COUPLING REACTIONS SCO2, CYCS, NCLN TSHR 3710/4885KIF11 4301/4885ACHE 4601/4885

“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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