SCHEMBL8420903

SCHEMBL8420903

CCC[C@@H](C)CCCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACE2 Q9BYF1 1/20 0.43
PRKD3 O94806 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
OPRM1 P35372 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
SCHEMBL574136 1.00 TSHR (0.55) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL9641955 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL1658068 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL9724988 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL3368771 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL345866 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL6158105 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL366532 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL7784084 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL6157071 0.97 TSHR (0.52) TSHRSMN1; SMN2LMNAALDH1A1HSD17B10

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 5 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
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
US-6002037-A INTERMEDIATES OF CHIRAL ORGANIC COMPOUNDS, E.G., ISOALKYL ALCOHOLS, IN HIGHLY ENANTIOMERIC EXCESS FOR PREPARING VITAMINS, DRUGS AND BIOMOLECULES; METALLOCENE CATALYSTS PURDUE RESEARCH FOUNDATION (US) 1999-12-14 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-20160332940-A1 PROCESSES FOR THE SYNTHESIS OF CHIRAL 1-ALKANOLS CYP51A1, ALKBH3, ALKBH1 TSHR 4338/4885SMN1; SMN2 4633/4885LMNA 3812/4885
US-10000432-B2 Processes for the synthesis of chiral 1-alkanols CYP51A1, ALKBH3, ALKBH1 TSHR 4338/4885SMN1; SMN2 4633/4885LMNA 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.