SCHEMBL25142177

SCHEMBL25142177

CC1(C)CC(NC2CCCCC2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 3/20 0.32
GAA P10253 3/20 0.32
CCR2 P41597 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RAB9A P51151 1/20 0.30
ADH1B P00325 1/20 0.30
ADH1C P00326 1/20 0.30

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
SCHEMBL26256312 0.82 HTT (0.38) IRAK4HTTSMN1; SMN2CYP3A4CYP2D6
SCHEMBL26251713 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPK1NPSR1GAA
SCHEMBL26275196 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10MAPK1NPSR1GAA
SCHEMBL13708739 0.75 HTT (0.45) ALDH1A1IRAK4HTTSMN1; SMN2CYP3A4
SCHEMBL13708740 0.75 HTT (0.45) ALDH1A1IRAK4HTTSMN1; SMN2CYP3A4
SCHEMBL6888693 0.75 HTT (0.45) ALDH1A1IRAK4HTTSMN1; SMN2CYP3A4
SCHEMBL25589521 0.74 SMN1; SMN2 (0.46) ALDH1A1IRAK4HTTSMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL28481257 0.74 HTT (0.44) ALDH1A1IRAK4HTTSMN1; SMN2CYP3A4
SCHEMBL19982848 0.73 HTT (0.44) ALDH1A1IRAK4HTTSMN1; SMN2CYP3A4
SCHEMBL24079660 0.72 ALDH1A1 (0.45) ALDH1A1HTTSMN1; SMN2CYP3A4CYP2D6

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
EP-4245756-A1 IKAROS ZINC FINGER FAMILY DEGRADERS AND USES THEREOF Gilead Sciences, Inc. (US) 2023-09-20 EP disclosed
US-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS SYNGENE INTERNATIONAL LIMITED (IN) 2023-04-20 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-20230117470-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS TLR1, TLR3, TLR9 ALDH1A1 1870/4885HSD17B10 4486/4885IRAK4 52/4885

“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.