SCHEMBL16896971

SCHEMBL16896971

CCC[C@H](CC)CCCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CA2 P00918 2/20 0.43
LMNA P02545 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 5/20 0.41
CYP3A4 P08684 3/20 0.41
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL16897049 1.00 ALDH1A1 (0.54) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL979078 1.00 ALDH1A1 (0.54) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL16897039 0.92 ALDH1A1 (0.52) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL3090935 0.92 ALDH1A1 (0.52) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL9173076 0.92 ALDH1A1 (0.55) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL3100777 0.90 ALDH1A1 (0.50) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL6446922 0.90 ALDH1A1 (0.50) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL12559649 0.90 ALDH1A1 (0.50) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL368279 0.90 ALDH1A1 (0.50) ALDH1A1CA2LMNATDP1SMN1; SMN2
SCHEMBL6440117 0.90 ALDH1A1 (0.50) ALDH1A1CA2LMNATDP1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10000432-B2 Processes for the synthesis of chiral 1-alkanols PURDUE RESEARCH FOUNDATION (US) 2018-06-19 US disclosed
US-10000432-B2 Processes for the synthesis of chiral 1-alkanols PURDUE RESEARCH FOUNDATION (US) 2018-06-19 US disclosed
EP-3094613-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS Purdue Research Foundation, Inc. (US) 2016-11-23 EP disclosed
US-20160332940-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS PURDUE RESEARCH FOUNDATION (US) 2016-11-17 US disclosed
US-20160332940-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS PURDUE RESEARCH FOUNDATION (US) 2016-11-17 US disclosed
WO-2015106045-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS PURDUE RESEARCH FOUNDATION (US) 2015-07-16 WO 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-20160332940-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS CYP51A1, ALKBH3, ALKBH1 ALDH1A1 500/4885CA2 2226/4885LMNA 3812/4885
US-10000432-B2 Processes for the synthesis of chiral 1-alkanols CYP51A1, ALKBH3, ALKBH1 ALDH1A1 500/4885CA2 2226/4885LMNA 3812/4885

“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.