SCHEMBL25759896

SCHEMBL25759896

C=C(C)CC1(CC(=O)O)CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
CACNA2D1 P54289 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 1/20 0.31
OPRM1 P35372 1/20 0.30
HSD11B1 P28845 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
SCHEMBL16621056 0.86 CYP1A2 (0.45) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL13636917 0.77 CYP1A2 (0.42) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL19603231 0.77 USP2 (0.34) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL3092703 0.76 CYP2C19 (0.39) KMT2AKDM4ECYP2C19OPRM1
SCHEMBL21645249 0.75 CYP1A2 (0.39) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL14459050 0.75 CYP1A2 (0.64) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL13636680 0.73 CHRM5 (0.45) CYP1A2ALDH1A1USP2LMNATSHR
Hydrochloric Acid SCHEMBL3491004 0.73 ALDH1A1 (0.39) CYP1A2ALDH1A1USP2LMNATSHR
Hydrochloric Acid SCHEMBL3494535 0.71 CHRM5 (0.44) CYP1A2ALDH1A1USP2LMNATSHR
SCHEMBL19293691 0.71

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-20230202977-A1 CYCLIC LIPIDS AND METHODS OF USE THEREOF RENAGADE THERAPEUTICS MANAGEMENT INC. 2023-06-29 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-20230202977-A1 CYCLIC LIPIDS AND METHODS OF USE THEREOF SGMS1, SGMS2, LNPEP CYP1A2 4878/4885ALDH1A1 4882/4885USP2 2359/4885

“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.