SCHEMBL6880774

SCHEMBL6880774

CN(C)CCC(N)CCCCCCCCCCCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.44
PLA2G1B P04054 1/20 0.39
PLA2G2A P14555 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DNM1 Q05193 4/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 0.35

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
SCHEMBL9903439 0.91 TDP1 (0.41) CHRM2PLA2G1BPLA2G2ATDP1DNM1
SCHEMBL31568087 0.83 PLA2G1B (0.59) PLA2G1BPLA2G2ADNM1ALDH1A1LMNA
SCHEMBL31443167 0.83 PLA2G1B (0.44) PLA2G1BPLA2G2ADNM1TSHRALDH1A1
SCHEMBL20471394 0.83 PLA2G1B (0.59) PLA2G1BPLA2G2ADNM1ALDH1A1LMNA
SCHEMBL20471385 0.83 PLA2G1B (0.59) PLA2G1BPLA2G2ADNM1ALDH1A1LMNA
SCHEMBL8663135 0.83 CHRM2 (0.44) CHRM2TDP1DNM1CYP2C9CYP2C19
SCHEMBL5705946 0.81 CYP2C9 (0.37) TDP1CYP2C9CYP2C19TSHRALDH1A1
SCHEMBL10903570 0.81 ALDH1A1 (0.58) PLA2G1BPLA2G2ADNM1TSHRALDH1A1
SCHEMBL15436602 0.81 ALDH1A1 (0.43) PLA2G1BPLA2G2ATDP1DNM1CYP2C9
SCHEMBL350445 0.81 DNM1 (0.53) DNM1TSHRALDH1A1CA12CA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365617-A1 SAPONIN DERIVATIVES FOR USE IN MEDICINE SAPREME TECHNOLOGIES B.V. (NL) 2023-11-16 US claimed
US-20230365617-A1 SAPONIN DERIVATIVES FOR USE IN MEDICINE SAPREME TECHNOLOGIES B.V. (NL) 2023-11-16 US disclosed
US-20040242502-A1 Semi-synthetic saponin analogs with carrier and immune stimulatory activities for DNA and RNA vaccines GALENICA PHARMACEUTICALS, INC. 2004-12-02 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-20230365617-A1 SAPONIN DERIVATIVES FOR USE IN MEDICINE HAVCR2, TTR, PYGL CHRM2 2537/4885PLA2G1B 3126/4885PLA2G2A 3181/4885
US-20040242502-A1 Semi-synthetic saponin analogs with carrier and immune stimulatory activities for DNA and RNA vaccines STING1, PHAX, POLRMT CHRM2 3233/4885PLA2G1B 1364/4885PLA2G2A 834/4885

“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.