SCHEMBL21625614

SCHEMBL21625614

CCCCC(CC)CO.OOO

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.86
LMNA P02545 2/20 0.56
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 6/20 0.48
TSHR P16473 4/20 0.48
ATM Q13315 1/20 0.46
CA2 P00918 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
USP2 O75604 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
BCL2L1 Q07817 3/20 0.39
BAK1 Q16611 3/20 0.39
ALOX15 P16050 1/20 0.39

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
Alcohol SCHEMBL38491 0.95 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL16324 0.93
SCHEMBL8420801 0.93
SCHEMBL9492501 0.93
SCHEMBL6249719 0.93 ALDH1A1 (1.00) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL23087843 0.90 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL22664580 0.90 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL9417630 0.90 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
Butane SCHEMBL21384927 0.90 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR
SCHEMBL6712852 0.90 ALDH1A1 (0.95) ALDH1A1LMNATDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210323901-A1 METHOD OF STORING AND/OR TRANSPORTING OXO ALCOHOL SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2021-10-21 US disclosed
EP-3823950-A1 METHOD OF STORING AND/OR TRANSPORTING OXO ALCOHOL SABIC Global Technologies B.V. (NL) 2021-05-26 EP disclosed
WO-2020016862-A1 METHOD OF STORING AND/OR TRANSPORTING OXO ALCOHOL SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-01-23 WO disclosed
CN-103314050-A Use of di(2-ethylhexyl)terephthalate (DEHT) in expandable PVC formulations EVONIK OXENO GMBH 2013-09-18 CN 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-20210323901-A1 METHOD OF STORING AND/OR TRANSPORTING OXO ALCOHOL AOX1, ADH1A, SORD ALDH1A1 62/4885LMNA 2022/4885TDP1 2210/4885

“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.