SCHEMBL19731772

SCHEMBL19731772

CCCCOC[C@H](F)CO

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.50
HTT P42858 2/20 0.42
LPAR1 Q92633 7/20 0.41
LPAR3 Q9UBY5 7/20 0.41
LPAR2 Q9HBW0 4/20 0.41
LPAR6 P43657 3/20 0.41
LPAR4 Q99677 3/20 0.41
LPAR5 Q9H1C0 3/20 0.41
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
SPHK1 Q9NYA1 1/20 0.39
HSD17B10 Q99714 1/20 0.38
PLA2G2C Q5R387 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL10339658 0.91 USP2 (0.66) USP2HTTLPAR1LPAR3LPAR2
SCHEMBL9171835 0.83 USP2 (0.50) USP2TSHRHTTLPAR1LPAR3
SCHEMBL19731697 0.82 USP2 (0.39) USP2TSHRHTTLPAR1LPAR3
SCHEMBL17278043 0.79 USP2 (0.55) USP2TSHRHTTLPAR1LPAR3
SCHEMBL128032 0.78
SCHEMBL14612347 0.77 USP2 (0.53) USP2TSHRHTTLPAR1LPAR3
SCHEMBL10611228 0.77 USP2 (0.53) USP2TSHRHTTLPAR1LPAR3
SCHEMBL115795 0.77 USP2 (0.84) USP2TSHRHTTLPAR5MEN1
SCHEMBL12586740 0.77 USP2 (0.53) USP2TSHRHTTLPAR1LPAR3
SCHEMBL8503207 0.77 USP2 (0.84) USP2TSHRHTTLPAR5MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF GENENTECH, INC. (US) 2017-12-21 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-20170362228-A1 TETRAHYDRO-PYRIDO[3,4-b]INDOLE ESTROGEN RECEPTOR MODULATORS AND USES THEREOF ESR2, GPER1, ESR1 USP2 3054/4885TSHR 159/4885HTT 3289/4885

“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.