SCHEMBL7040371

SCHEMBL7040371

C[Si](C)(C)CCOC(=O)c1ccc(I)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.40
MAP2K2 P36507 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37
SERPINE1 P05121 1/20 0.36
PIM1 P11309 1/20 0.36
CAMK2B Q13554 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL9850701 0.81 TSHR (0.55) TDP1L3MBTL1ALDH1A1
SCHEMBL539982 0.80 MAP2K1 (0.55) MAP2K1MAP2K2TDP1L3MBTL1POLB
SCHEMBL9699965 0.79 TSHR (0.57) TDP1L3MBTL1POLBMAPTALDH1A1
SCHEMBL26586889 0.78 POLB (0.39) MAP2K1MAP2K2TDP1L3MBTL1POLB
SCHEMBL4504422 0.78 TAAR1 (0.36) MAP2K1MAP2K2TDP1L3MBTL1MAPT
SCHEMBL26586786 0.77 POLB (0.41) MAP2K1MAP2K2TDP1L3MBTL1POLB
SCHEMBL16868364 0.77 MAP2K1 (0.33) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL6215461 0.75 NPC1 (0.41) L3MBTL1MAPTALDH1A1MEN1KMT2A
SCHEMBL7641258 0.75 TSHR (0.46) TDP1MAPTALDH1A1GAARAB9A
SCHEMBL30778915 0.75 MAP2K1 (0.47) MAP2K1MAP2K2MAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6660755-B2 Controlling cell proliferation agent; skin disorders; antiinflamamtory agents ALLERGAN, INC. 2003-12-09 US disclosed
US-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN, INC. 2003-06-12 US disclosed
US-6455701-B1 SUCH AS 4-((4'-TERT-BUTYL-3'-(4?-TRIFLUOROMETHYL)PHENOXY) PHENYLETHYNYL)BENZOIC ACID; SIDE EFFECT REDUCTION ALLERGAN, INC. 2002-09-24 US disclosed
US-6187950-B1 A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES ALLERGAN, INC. 2001-02-13 US disclosed
US-5919970-A Substituted diaryl or diheteroaryl methanes, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity ALLERGAN SALES, INC. (US) 1999-07-06 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-20030109687-A1 Substituted diaryl or diheteroaryl methans, ethers and amines having retinoid agonist, antagonist or inverse agonist type biological activity RXRB, RXRA, RXRG MAP2K1 2101/4885MAP2K2 2179/4885TDP1 3257/4885

“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.