SCHEMBL7112455

SCHEMBL7112455

CC1CCC(C(C)C)C(OP(=O)(O)OCCCN)C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
LMNA P02545 4/20 0.48
ITPR3 Q14573 1/20 0.41
ITPR1 Q14643 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
EPHX1 P07099 3/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP19A1 P11511 2/20 0.37
NFE2L2 Q16236 1/20 0.37
TRPA1 O75762 2/20 0.36
TRPM8 Q7Z2W7 2/20 0.36
APOBEC3A P31941 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
P2RX4 Q99571 1/20 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
SCHEMBL7113763 1.00 ALDH1A1 (0.48) ALDH1A1LMNAITPR3ITPR1MEN1
SCHEMBL8147105 0.92 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9483991 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9485530 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9484811 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9485019 0.86 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8148495 0.82 ALDH1A1 (0.45) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8145483 0.82 ALDH1A1 (0.61) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL9484139 0.82 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL8988919 0.80 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AKDM4E

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-6566545-B2 Alkali metal or intramolecular salt of menthyl 3-aminopropyl acid phosphate, and preparation from phosphoryl chloride, menthol and 3-amino-1-propanol; decomposed in body to form menthol and mono(3-aminopropyl) phosphate PACIFIC CORPORATION (KR) 2003-05-20 US disclosed
US-20030069209-A1 MENTHOL DERIVATIVES AND PROCESS FOR PREPARING THE SAME AMOREPACIFIC CORPORATION (KR) 2003-04-10 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-20030069209-A1 MENTHOL DERIVATIVES AND PROCESS FOR PREPARING THE SAME MSMO1, PHOSPHO1, PLCD1 ALDH1A1 2203/4885LMNA 3454/4885ITPR3 696/4885

“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.