SCHEMBL20706282

SCHEMBL20706282

CCCCCCC(C)(CCCC)Cc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
HSD17B10 Q99714 1/20 0.58
CYP2A6 P11509 1/20 0.46
CYP19A1 P11511 7/20 0.45
LOXL2 Q9Y4K0 2/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
MGLL Q99685 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
SGPL1 O95470 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
GPR183 P32249 1/20 0.36
TNNC1 P63316 1/20 0.36

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
SCHEMBL21115924 0.84 CNR1 (0.50) TSHRHSD17B10CYP19A1CNR1CNR2
SCHEMBL29038982 0.82 CYP2A6 (0.50) TSHRHSD17B10CYP2A6CYP19A1LOXL2
SCHEMBL25825947 0.79 LMNA (0.46) HSD17B10CNR2KDM4EALDH1A1L3MBTL1
SCHEMBL9026707 0.78 HSD17B10 (0.89) TSHRHSD17B10CYP2A6CYP19A1LOXL2
SCHEMBL2984821 0.78 HSD17B10 (0.89) TSHRHSD17B10CYP2A6CYP19A1LOXL2
SCHEMBL15186454 0.78 HSD17B10 (0.89) TSHRHSD17B10CYP2A6CYP19A1LOXL2
SCHEMBL22265340 0.78 HSD17B10 (0.89) TSHRHSD17B10CYP2A6CYP19A1LOXL2
SCHEMBL1312812 0.78 HSD17B10 (0.89) TSHRHSD17B10CYP2A6CYP19A1LOXL2
SCHEMBL9850260 0.78 HSD17B10 (0.89) TSHRHSD17B10CYP2A6CYP19A1LOXL2
SCHEMBL6033056 0.78 HSD17B10 (0.89) TSHRHSD17B10CYP2A6CYP19A1LOXL2

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-10196418-B2 Phosphorous protecting groups and methods of preparation and use thereof AGILENT TECHNOLOGIES, INC. (US) 2019-02-05 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-10196418-B2 Phosphorous protecting groups and methods of preparation and use thereof POLN, POLRMT, NUDT21 TSHR 3949/4885HSD17B10 4529/4885CYP2A6 4283/4885

“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.