SCHEMBL4129898

SCHEMBL4129898

CC(C)CCCCCc1ncc[nH]1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.54
TERT O14746 1/20 0.46
TAAR1 Q96RJ0 8/20 0.41
ALOX15 P16050 1/20 0.38
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
HRH4 Q9H3N8 2/20 0.37
TXN P10599 1/20 0.37
TXNRD1 Q16881 1/20 0.37
GPR84 Q9NQS5 1/20 0.36
HTR1A P08908 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
SCHEMBL27232031 1.00 TBXAS1 (0.54) TBXAS1TERTTAAR1ALOX15HIF1A
SCHEMBL439546 0.98 TBXAS1 (0.51) TBXAS1TERTTAAR1ALOX15HRH4
SCHEMBL441515 0.93 TBXAS1 (0.49) TBXAS1TERTTAAR1ALOX15HRH4
SCHEMBL441513 0.85 TERT (0.47) TBXAS1TERTTAAR1ALOX15TXN
SCHEMBL28062565 0.84 TBXAS1 (0.69) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL503743 0.84 TBXAS1 (0.69) TBXAS1TERTTAAR1ALOX15HTR1A
Iodide SCHEMBL14645279 0.83 TERT (0.46) TBXAS1TERTTAAR1ALOX15TXN
SCHEMBL3431746 0.82 TBXAS1 (0.66) TBXAS1TERTTAAR1ALOX15HTR1A
SCHEMBL20000791 0.81 TBXAS1 (0.46) TBXAS1TERTTAAR1ALOX15HRH4
SCHEMBL23071637 0.79 TBXAS1 (0.59) TBXAS1TERTTAAR1ALOX15GPR84

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
CN-106187900-A Method for preparing carboxylate ionic liquid and application of carboxylate ionic liquid 南方科技大学 2016-12-07 CN disclosed
US-20120157701-A1 PROCESS FOR PREPARING SILOXY CARBOXYLATES BASF SE (DE) 2012-06-21 US disclosed
US-20090023933-A1 METHOD FOR ISOLATING ACIDS FROM CHEMICAL REACTION MIXTURES BY USING 1-ALKYLIMIDAZOLES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 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 (2 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-20090023933-A1 METHOD FOR ISOLATING ACIDS FROM CHEMICAL REACTION MIXTURES BY USING 1-ALKYLIMIDAZOLES POLL, INO80C, BRD7 TBXAS1 2094/4885TERT 1193/4885TAAR1 2735/4885
US-20120157701-A1 PROCESS FOR PREPARING SILOXY CARBOXYLATES IDH3A, IDH1, HDAC3 TBXAS1 4428/4885TERT 2450/4885TAAR1 2500/4885

“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.