SCHEMBL16896972

SCHEMBL16896972

CCCC(CCCCO)CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 1/20 0.38
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 2/20 0.34
METAP2 P50579 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
REN P00797 2/20 0.32
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL16896981 1.00 CYP1A2 (0.38) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL11003542 0.95 CYP1A2 (0.39) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL16896984 0.95 CYP1A2 (0.39) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL11003161 0.93 CYP1A2 (0.36) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL10998499 0.88 CYP1A2 (0.44) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL10997682 0.87 CYP1A2 (0.38) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL11001369 0.87 CYP1A2 (0.38) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL10998666 0.85 CYP1A2 (0.34) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL11001837 0.84 CYP1A2 (0.44) CYP1A2ALDH1A1KMT2ACTSLCTSB
SCHEMBL11254010 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1KMT2ACTSLCTSB

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
EP-3094613-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS Purdue Research Foundation, Inc. (US) 2016-11-23 EP claimed
WO-2015106045-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS PURDUE RESEARCH FOUNDATION (US) 2015-07-16 WO claimed
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
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 CYP1A2 20/4885ALDH1A1 500/4885KMT2A 923/4885
US-10000432-B2 Processes for the synthesis of chiral 1-alkanols CYP51A1, ALKBH3, ALKBH1 CYP1A2 20/4885ALDH1A1 500/4885KMT2A 923/4885

“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.