SCHEMBL17340876

SCHEMBL17340876

Cc1sc2cc(-c3ccccc3)ccc2c1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 2/20 0.40
▸ PIK3CA P42336 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ TNKS2 Q9H2K2 1/20 0.36
▸ ACLY P53396 1/20 0.36
▸ F9 P00740 2/20 0.35
▸ PIK3CG P48736 1/20 0.34
▸ MCL1 Q07820 1/20 0.34
▸ ROCK1 Q13464 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ PIM3 Q86V86 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17340903 0.83 KIF11 (0.37) ESR1
SCHEMBL17340881 0.83 LIMK1 (0.46) LIMK1ESR1ESR2L3MBTL1
SCHEMBL13713781 0.80 LIMK1 (0.44) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL25013345 0.78 LIMK1 (0.43) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL17340882 0.77 LIMK1 (0.40) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL12922043 0.77 GPR3 (0.46) L3MBTL1
SCHEMBL21084748 0.75 RXRA (0.44) LIMK1PIK3CAPI4KAPI4KBF9
SCHEMBL12562737 0.74 LIMK1 (0.51) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL10110898 0.74 LIMK1 (0.51) LIMK1PIK3CAPI4KAPI4KBTNKS2
SCHEMBL19135540 0.74 MCL1 (0.41) LIMK1PIK3CAPI4KAPI4KBTNKS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9708528-B2 Robust photochromic compounds with silicon- or phosphorus-containing heterocyclic ring and the production thereof THE UNIVERSITY OF HONG KONG (HK) 2017-07-18 — — US disclosed
US-9708528-B2 Robust photochromic compounds with silicon- or phosphorus-containing heterocyclic ring and the production thereof THE UNIVERSITY OF HONG KONG (HK) 2017-07-18 — — US disclosed
US-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF THE UNIVERSITY OF HONG KONG (HK) 2015-12-17 — — 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-20150361332-A1 ROBUST PHOTOCHROMIC COMPOUNDS WITH SILICON- OR PHOSPHORUS-CONTAINING HETEROCYCLIC RING AND THE PRODUCTION THEREOF CRY1, CRY2, P2RY10 LIMK1 1099/4885PIK3CA 100/4885PI4KA 162/4885

“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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