SCHEMBL30002855

SCHEMBL30002855

c1ccc(NC2C3CC4CC(C3)CC2C4)nc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.62
HTT P42858 1/20 0.62
HSD17B10 Q99714 1/20 0.62
RAB9A P51151 3/20 0.47
EPHX2 P34913 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
P2RX7 Q99572 1/20 0.47
HSD11B1 P28845 2/20 0.43
NPC1 O15118 2/20 0.43
PKM P14618 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPK10 P53779 1/20 0.41
GFER P55789 1/20 0.41
GAA P10253 1/20 0.41
FLT3 P36888 1/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11154763 0.83 ALDH1A1 (0.50) ALDH1A1HTTHSD17B10RAB9AEPHX2
Hydrochloric Acid SCHEMBL11161897 0.81 ALDH1A1 (0.49) ALDH1A1HTTHSD17B10RAB9AEPHX2
SCHEMBL1332997 0.77 ALDH1A1 (1.00) ALDH1A1HTTHSD17B10EPHX2MAPK1
SCHEMBL20069027 0.77 NOS2 (0.39) ALDH1A1HTTHSD17B10RAB9AEPHX2
SCHEMBL3363216 0.75 SMN1; SMN2 (0.54) ALDH1A1HTTHSD17B10P2RX7HSD11B1
SCHEMBL19068532 0.75 NPC1 (0.49) ALDH1A1HSD17B10EPHX2NPC1SMN1; SMN2
SCHEMBL7983417 0.73 RAB9A (0.49) ALDH1A1HTTHSD17B10RAB9AEPHX2
SCHEMBL20147713 0.73 HRH3 (0.40) ALDH1A1RAB9AEPHX2TSHRMAPK1
SCHEMBL20206002 0.73 RAB9A (0.36) ALDH1A1HTTHSD17B10RAB9AEPHX2
SCHEMBL20158856 0.73 NOS2 (0.42) HTTRAB9ANPC1PKMKMT2A

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-12129233-B2 Water-soluble salts of cannabinoids, preparation and uses thereof Aurora Fine Chemicals LLC (US) 2024-10-29 US disclosed
US-20220332694-A1 New water-soluble salts of cannabinoids, preparation and uses thereof Aurora Fine Chemicals LLC (US) 2022-10-20 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 (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-12129233-B2 Water-soluble salts of cannabinoids, preparation and uses thereof CNR1, CNR2, FAAH ALDH1A1 3453/4885HTT 1939/4885HSD17B10 3340/4885
US-20220332694-A1 New water-soluble salts of cannabinoids, preparation and uses thereof CNR1, CNR2, GPR18 ALDH1A1 3613/4885HTT 1811/4885HSD17B10 3446/4885

“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.