SCHEMBL1794431

SCHEMBL1794431

CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.CC(C)(C)c1cc(C(C)(C)C)c(C(C)(C)C)[nH]1.[BaH2]

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ ATP2A2 P16615 1/20 0.33
▸ ATP2A3 Q93084 1/20 0.33
▸ DAO P14920 1/20 0.31
▸ CA2 P00918 2/20 0.31
▸ CA1 P00915 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ TYR P14679 1/20 0.30

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
SCHEMBL1791619 0.98 ALDH1A1 (0.38) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL14375351 0.78 ALDH1A1 (0.36) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4011812 0.73 DAO (0.32) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL1924912 0.71 DAO (0.31) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL19323695 0.71 MAPK14 (0.32) ALDH1A1KDM4EGLAGAAHPGD
Hydrochloric Acid SCHEMBL8463457 0.70 DAO (0.30) DAO
SCHEMBL2405178 0.70 DAO (0.30) DAO
SCHEMBL2404545 0.70 DAO (0.30) DAO
Hydrochloric Acid SCHEMBL8535246 0.68 — —
SCHEMBL6902642 0.68 HSPA5 (0.32) ALDH1A1KDM4ESMN1; SMN2CYP1A2MAPT

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
EP-2540731-B1 Volatile group 2 metal precursors VERSUM MAT US LLC (US) 2018-02-21 — — EP disclosed
US-8859785-B2 Volatile group 2 metal precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-10-14 — — US disclosed
EP-2540731-A1 Volatile group 2 metal precursors Air Products and Chemicals, Inc. (US) 2013-01-02 — — EP disclosed
US-20110120875-A1 Volatile Group 2 Metal Precursors AIR PRODUCTS AND CHEMICALS, INC. (US) 2011-05-26 — — US disclosed
EP-2256121-A1 Volatile group 2 metal precursors Air Products and Chemicals, Inc. (US) 2010-12-01 — — EP 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-20110120875-A1 Volatile Group 2 Metal Precursors BST2, BMP2, CACNA1G ALDH1A1 4740/4885KDM4E 2937/4885GLA 2231/4885

“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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