SCHEMBL6356359

SCHEMBL6356359

O=C(NCC1CCC2(CC1)OCCO2)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TGM2 P21980 2/20 0.46
F13A1 P00488 1/20 0.46
TGM1 P22735 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
CYP2C19 P33261 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
TPSAB1 Q15661 1/20 0.42
TPSD1 Q9BZJ3 1/20 0.42
TPSG1 Q9NRR2 1/20 0.42

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
SCHEMBL14669158 0.85 MEN1 (0.51) ALDH1A1TGM2F13A1TGM1LMNA
SCHEMBL8393648 0.84 LMNA (0.58) ALDH1A1TGM2F13A1TGM1LMNA
SCHEMBL30429139 0.82 CYP1A2 (0.51) ALDH1A1TGM2F13A1TGM1LMNA
SCHEMBL16158130 0.82 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2CYP2C9CYP2C19
SCHEMBL5264129 0.82 ALDH1A1 (0.62) ALDH1A1MEN1KMT2ATSHRGAA
SCHEMBL8395084 0.82 ALDH1A1 (0.58) ALDH1A1TGM2F13A1TGM1LMNA
SCHEMBL8029231 0.82 ALDH1A1 (0.61) ALDH1A1TGM2F13A1TGM1LMNA
SCHEMBL29629105 0.81 ALDH1A1 (0.48) ALDH1A1TGM2F13A1TGM1LMNA
SCHEMBL25568563 0.81 ALDH1A1 (0.50) ALDH1A1TGM2F13A1TGM1LMNA
SCHEMBL305379 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2CYP2C9CYP2C19MEN1

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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 US disclosed
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation MERCK & CO., INC. 2005-11-24 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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 ALDH1A1 3019/4885TGM2 1871/4885F13A1 3708/4885
US-20050261327-A1 2-(Bicyclo)alkylamino-derivatives as mediatores of chronic pain and inflammation BDKRB1, BDKRB2, LTB4R2 ALDH1A1 2563/4885TGM2 3589/4885F13A1 630/4885

“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.