Octane

Octane

SCHEMBL3330989

CCCCCCCC.NC(=O)c1cccc(O)c1O

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 2/20 0.54
NR1I2 O75469 1/20 0.54
CHRM2 P08172 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADRA2A P08913 1/20 0.54
OPRK1 P41145 1/20 0.54
HTR2B P41595 1/20 0.54
SLC6A3 Q01959 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
ALDH1A1 P00352 3/20 0.51
ALOX5 P09917 1/20 0.51
HTT P42858 1/20 0.51
ATM Q13315 1/20 0.51
TSHR P16473 2/20 0.50
NAAA Q02083 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50

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
Salicylamide SCHEMBL28253035 0.86 ALDH1A1 (0.70) MAPTMEN1KMT2ALMNANR1I2
SCHEMBL29552052 0.85 KDM4E (0.67) MAPTLMNAALDH1A1ALOX5TSHR
SCHEMBL424097 0.85 KDM4E (0.67) MAPTLMNAALDH1A1ALOX5TSHR
Ammonia Solution, Strong SCHEMBL8664317 0.83 KDM4E (0.64) MAPTLMNAALDH1A1ALOX5TSHR
Hydrochloric Acid SCHEMBL9377889 0.83 KDM4E (0.64) MAPTLMNAALDH1A1ALOX5TSHR
SCHEMBL30100444 0.82 BID (0.54) MAPTMEN1KMT2ALMNANR1I2
SCHEMBL3718835 0.82 BID (0.54) MAPTMEN1KMT2ALMNANR1I2
SCHEMBL3645117 0.82 BID (0.54) MAPTMEN1KMT2ALMNANR1I2
SCHEMBL10700230 0.82 BID (0.54) MAPTMEN1KMT2ALMNANR1I2
SCHEMBL5921287 0.81 HTT (0.68) MAPTMEN1KMT2AALDH1A1ALOX5

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
CN-101765367-A Substances for the protection of cells and/or tissues RALF LOESEL 2010-06-30 CN disclosed
US-20100129436-A1 SUBTANCES FOR THE PROTECTION OF CELLS AND/OR TISSUES LOSEL RALF 2010-05-27 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-20100129436-A1 SUBTANCES FOR THE PROTECTION OF CELLS AND/OR TISSUES CTSA, BCL2, BAX MAPT 4257/4885MEN1 1365/4885KMT2A 3934/4885

“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.