SCHEMBL10148356

SCHEMBL10148356

CCOC(=O)[C@H]1CC[C@H](Oc2ccccc2F)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.52
LPAR5 Q9H1C0 1/20 0.52
KDM4E B2RXH2 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 3/20 0.50
POLB P06746 1/20 0.50
ALDH1A1 P00352 7/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL16507018 1.00 LPAR1 (0.52) LPAR1LPAR5KDM4ESMN1; SMN2TSHR
SCHEMBL2473263 0.86 LPAR1 (0.51) LPAR1LPAR5SMN1; SMN2TSHRALDH1A1
SCHEMBL2473260 0.86 LPAR1 (0.51) LPAR1LPAR5SMN1; SMN2TSHRALDH1A1
SCHEMBL16507227 0.84 ALDH1A1 (0.57) LPAR1LPAR5KDM4ESMN1; SMN2TSHR
SCHEMBL2166026 0.84 KDM4E (0.54) KDM4ESMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL4441490 0.82 TSHR (0.54) KDM4ESMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL16506413 0.81 LPAR1 (0.57) LPAR1LPAR5HPGD
SCHEMBL10148355 0.81 LPAR1 (0.57) LPAR1LPAR5HPGD
SCHEMBL10148021 0.81 RAB9A (0.49) LPAR1LPAR5KDM4ESMN1; SMN2TSHR
SCHEMBL10148089 0.80 POLB (0.52) POLBALDH1A1KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 US disclosed
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 LPAR1 1629/4885LPAR5 2217/4885KDM4E 3060/4885

“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.