SCHEMBL21484965

SCHEMBL21484965

CCOC(=O)c1c(-c2ccccc2)c(C)c(C)n1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
KMT2A Q03164 3/20 0.53
MAPT P10636 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 4/20 0.51
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HPGD P15428 2/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.51
USP2 O75604 1/20 0.50
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
GRM6 O15303 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46

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
SCHEMBL1127045 0.87 TSHR (0.68) TSHRKMT2AMAPTSMN1; SMN2GAA
SCHEMBL20567847 0.86 TSHR (0.56) TSHRKMT2AMAPTSMN1; SMN2GAA
SCHEMBL1126753 0.86 TSHR (0.53) TSHRKMT2AMAPTSMN1; SMN2GAA
SCHEMBL19663897 0.81 GRIA4 (0.61) TSHRKMT2ASMN1; SMN2LMNAUSP2
SCHEMBL28645817 0.80 TSHR (0.54) TSHRKMT2AMAPTSMN1; SMN2GAA
SCHEMBL4378375 0.80 GRIA4 (0.73) TSHRALDH1A1NPSR1KDM4E
SCHEMBL1381652 0.79 TSHR (0.55) TSHRKMT2AMAPTSMN1; SMN2GAA
SCHEMBL1127080 0.79 TSHR (0.55) TSHRKMT2AMAPTSMN1; SMN2GAA
SCHEMBL8785961 0.79 TSHR (0.55) TSHRKMT2AMAPTSMN1; SMN2GAA
SCHEMBL1126966 0.77 TSHR (0.53) TSHRKMT2AMAPTSMN1; SMN2GAA

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-10596150-B2 Antifungal agents F2G LIMITED (GB) 2020-03-24 US disclosed
US-20190314333-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2019-10-17 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-20190314333-A1 ANTIFUNGAL AGENTS DPM1, AADAC, PIK3C3 TSHR 4627/4885KMT2A 777/4885MAPT 3096/4885
US-10596150-B2 Antifungal agents DPM1, AADAC, PIK3C3 TSHR 4627/4885KMT2A 777/4885MAPT 3096/4885

“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.