SCHEMBL25735342

SCHEMBL25735342

CCCC(C)(C)n1cc(C2CCCCC2)nn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
MIF P14174 1/20 0.40
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
DPP4 P27487 1/20 0.36
CTSK P43235 3/20 0.33
CTSS P25774 2/20 0.33
JAK2 O60674 1/20 0.32
ROCK2 O75116 1/20 0.32
GSK3B P49841 1/20 0.32
CNR1 P21554 1/20 0.32
ADORA2A P29274 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL25734927 0.81 GABRA2 (0.48) CYP19A1MIFGABRA2GABRB2CA12
SCHEMBL18634642 0.80 CYP19A1 (0.35) CYP19A1MIFGABRA2GABRB2CA12
SCHEMBL18623669 0.72 GABRA2 (0.38) CYP19A1MIFGABRA2GABRB2CA12
SCHEMBL21016237 0.71 CYP19A1 (0.60) CYP19A1MIFGABRA2GABRB2CA12
SCHEMBL19535202 0.70 CYP19A1 (0.55) CYP19A1MIFGABRA2GABRB2CA12
SCHEMBL18972971 0.69 DPP4 (0.33) GABRA2GABRB2HRH4HRH3DPP4
SCHEMBL19535293 0.69 CYP19A1 (0.58) CYP19A1MIFGABRA2GABRB2CA12
SCHEMBL21165995 0.68 NPC1 (0.41) NPC1RAB9A
SCHEMBL19535084 0.68 HRH4 (0.56) CYP19A1MIFHRH4HRH3DPP4
SCHEMBL14023215 0.67 MIF (0.47) CYP19A1MIFGABRA2GABRB2CA12

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-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS GLYCOMIMETICS, INC. (US) 2023-06-01 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-20230167150-A1 CD33 LIGANDS SUITABLE FOR INCORPORATION INTO CARRIERS SIGLEC7, SIGLEC9, CD47 CYP19A1 1834/4885MIF 1589/4885GABRA2 1774/4885

“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.