SCHEMBL29339586

SCHEMBL29339586

CC(C)CCOC(=O)COC(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.51
CYP19A1 P11511 1/20 0.45
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
CXCR1 P25024 1/20 0.39
CXCR2 P25025 1/20 0.39
PPARG P37231 1/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 2/20 0.36
EPHX2 P34913 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL12189970 0.87 TDP1 (0.40) TDP1CYP19A1ALDH1A1LMNAL3MBTL1
SCHEMBL14240973 0.86 TDP1 (0.44) TDP1CYP19A1CXCR1CXCR2ALDH1A1
SCHEMBL14240968 0.85 TDP1 (0.42) TDP1CYP19A1ALDH1A1ACHE
SCHEMBL5607500 0.81 NAAA (0.38) TDP1ALDH1A1LMNA
SCHEMBL31260131 0.81 TDP1 (0.49) TDP1CYP19A1CA12CA1CA2
SCHEMBL2757536 0.81 TDP1 (0.41) TDP1ALDH1A1KMT2AHSD17B10EPHX2
SCHEMBL27738473 0.81 TDP1 (0.49) TDP1CYP19A1CA12CA1CA2
SCHEMBL9504297 0.81 TDP1 (0.68) TDP1CYP19A1CA12CA1CA2
SCHEMBL28970736 0.79 CYP19A1 (0.49) TDP1CYP19A1CA12CA1CA2
SCHEMBL14039046 0.78 TSHR (0.46) TDP1PPARGALDH1A1KDM4EGAA

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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 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-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 TDP1 2510/4885CYP19A1 117/4885CA12 2937/4885

“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.