SCHEMBL26501099

SCHEMBL26501099

CC(C)CCCc1ccc(OCCC(C)C)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 1/20 0.53
EPHX2 P34913 1/20 0.50
S1PR1 P21453 1/20 0.48
S1PR5 Q9H228 1/20 0.48
HRH3 Q9Y5N1 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
RARB P10826 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC2A1 P11166 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
SCHEMBL20152074 0.89 TDP1 (0.56) TDP1MAPK1EPHX2S1PR1S1PR5
SCHEMBL24089506 0.89 TDP1 (0.63) TDP1MAPK1EPHX2S1PR1S1PR5
SCHEMBL8683110 0.88 MAPK1 (0.54) TDP1MAPK1EPHX2HRH3RARB
SCHEMBL8120575 0.86 TDP1 (0.53) TDP1MAPK1EPHX2S1PR1S1PR5
SCHEMBL26501101 0.85 ACACB (0.49) TDP1S1PR1S1PR5LMNASMN1; SMN2
SCHEMBL23966332 0.85 TDP1 (0.59) TDP1MAPK1EPHX2S1PR1S1PR5
SCHEMBL14668123 0.85 HRH3 (0.68) HRH3SMN1; SMN2
1,4-Diisopentoxybenzene SCHEMBL2846102 0.84 TDP1 (0.79) TDP1MAPK1EPHX2S1PR1S1PR5
SCHEMBL27805471 0.84 TDP1 (0.58) TDP1MAPK1EPHX2S1PR1S1PR5
SCHEMBL27773084 0.84 TDP1 (0.58) TDP1MAPK1EPHX2S1PR1S1PR5

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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-10-12 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-20230321253-A1 BIFUNCTIONAL COMPOUNDS AND PHARMACEUTICAL USES THEREOF KRAS, MDM2, NRAS TDP1 2933/4885MAPK1 2171/4885EPHX2 1095/4885

“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.