SCHEMBL25838949

SCHEMBL25838949

Clc1ccc(CC2CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 2/20 0.48
LTA4H P09960 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
EPHX1 P07099 1/20 0.44
CEL P19835 1/20 0.43

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
SCHEMBL1119467 0.89 ALDH1A1 (0.59) ALDH1A1POLBKDM4ECYP3A4SLC6A2
SCHEMBL19860937 0.83 LTA4H (0.46) ALDH1A1NPC1RAB9ALTA4HHRH3
SCHEMBL18867753 0.83 LTA4H (0.46) ALDH1A1NPC1RAB9ALTA4HHRH3
SCHEMBL18867775 0.83 LTA4H (0.46) ALDH1A1NPC1RAB9ALTA4HHRH3
SCHEMBL19860836 0.83 LTA4H (0.46) ALDH1A1NPC1RAB9ALTA4HHRH3
SCHEMBL13504117 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9AHRH3CYP3A4
SCHEMBL894700 0.79 GBA1 (0.66) ALDH1A1HRH3CYP3A4SLC6A4KCNH2
SCHEMBL3130172 0.79 ALDH1A1 (0.51) ALDH1A1POLBCYP3A4SLC6A2SLC6A4
SCHEMBL21622788 0.79 MAOB (0.55) ALDH1A1NPC1RAB9APOLBCYP3A4
SCHEMBL7157755 0.79 ALDH1A1 (0.51) ALDH1A1NPC1RAB9APOLBKDM4E

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-20230218547-A1 CHEMICAL COMPOSITION THE JOHN HOPKINS UNIVERSITY 2023-07-13 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-20230218547-A1 CHEMICAL COMPOSITION NDUFA10, NDUFA3, NDUFB10 ALDH1A1 433/4885NPC1 1524/4885RAB9A 1492/4885

“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.