SCHEMBL14218261

SCHEMBL14218261

CCCCOC[C@H](C)CC=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.39
USP2 O75604 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CYP3A4 P08684 2/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
LPAR1 Q92633 2/20 0.33
LPAR3 Q9UBY5 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
FAAH O00519 1/20 0.33
PLA2G2C Q5R387 1/20 0.33

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
SCHEMBL15355016 1.00 TSHR (0.39) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL11364949 1.00 TSHR (0.39) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL12724513 0.94 USP2 (0.43) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL12724500 0.94 USP2 (0.43) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL12724498 0.94 USP2 (0.43) TSHRUSP2SPHK1CYP3A4HTT
SCHEMBL12724493 0.92 USP2 (0.46) TSHRUSP2SPHK1HTTLPAR5
SCHEMBL12724539 0.92 USP2 (0.46) TSHRUSP2SPHK1HTTLPAR5
SCHEMBL12724494 0.92 USP2 (0.46) TSHRUSP2SPHK1HTTLPAR5
SCHEMBL12724517 0.92 USP2 (0.46) TSHRUSP2SPHK1HTTLPAR5
SCHEMBL1634701 0.92 USP2 (0.46) TSHRUSP2SPHK1HTTLPAR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8957228-B2 Macrolide compound having anticancer effect TOHOKU UNIVERSITY (JP) 2015-02-17 US disclosed
US-20130281714-A1 MACROLIDE COMPOUND HAVING ANTICANCER EFFECT TOHOKU UNIVERSITY (JP) 2013-10-24 US disclosed
US-20080125310-A1 Hydride reduction of alpha, beta-unsaturated carbonyl compounds using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 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-20130281714-A1 MACROLIDE COMPOUND HAVING ANTICANCER EFFECT HDAC6, RPL21, MKI67 TSHR 4136/4885USP2 3893/4885SPHK1 674/4885

“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.