Tert-Butanol

Tert-Butanol

SCHEMBL3922292

CC(C)(C)O.CC(C)(C)OC(=O)n1c(-c2nn(C(=O)O)c3ccc(OCc4ccccc4)cc23)cc2cc(O[Si](C)(C)C(C)(C)C)ccc21

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 14/20 0.39
▸ SRD5A2 P31213 1/20 0.39
▸ NR1H3 Q13133 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ YAP1 P46937 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35

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
SCHEMBL3920246 0.95 NR1H2 (0.41) NR1H2SRD5A2NR1H3KDM4EALDH1A1
Tert-Butanol SCHEMBL3930132 0.90 NR1H2 (0.43) NR1H2SRD5A2NR1H3MEN1NPC1
Tert-Butanol SCHEMBL3920752 0.90 NR1H2 (0.42) NR1H2SRD5A2NR1H3MEN1NPC1
SCHEMBL3917562 0.89 NR1H2 (0.40) NR1H2SRD5A2NR1H3KDM4EALDH1A1
SCHEMBL3921577 0.84 NR1H2 (0.45) NR1H2SRD5A2NR1H3MEN1NPC1
SCHEMBL3973776 0.84 NR1H2 (0.42) NR1H2SRD5A2NR1H3KDM4EALDH1A1
SCHEMBL3920773 0.84 NR1H2 (0.44) NR1H2SRD5A2NR1H3MEN1NPC1
SCHEMBL3931449 0.84 NR1H2 (0.52) NR1H2NR1H3
SCHEMBL3920962 0.83 NR1H2 (0.45) NR1H2SRD5A2NR1H3MEN1NPC1
SCHEMBL3921277 0.82 NR1H2 (0.41) NR1H2SRD5A2NR1H3MEN1NPC1

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-7491710-B2 Organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2009-02-17 — — US disclosed
US-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products AVENTIS PHARMA S.A. (FR) 2005-06-23 — — 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-20050137171-A1 Novel organophosphorus derivatives of indazoles and use thereof as medicinal products PPIP5K2, INPPL1, IP6K3 NR1H2 2030/4885SRD5A2 2882/4885NR1H3 1492/4885

“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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