SCHEMBL3864310

SCHEMBL3864310

O=C(O)C[C@H](O)C1CCCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
TP53 P04637 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GMNN O75496 1/20 0.50
MAPT P10636 1/20 0.50
BLM P54132 1/20 0.50
PMP22 Q01453 1/20 0.50
EPHX1 P07099 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.40
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
HSD17B10 Q99714 1/20 0.37
UGT2B7 P16662 2/20 0.36

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
SCHEMBL3864316 1.00 ALDH1A1 (0.57) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL5575741 1.00 ALDH1A1 (0.57) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL7497018 0.98 ALDH1A1 (0.53) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL7495284 0.93 ALDH1A1 (0.48) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL8393221 0.88
SCHEMBL6677988 0.88
SCHEMBL6064540 0.80 TP53 (0.50) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL6442424 0.80 TP53 (0.50) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL1698454 0.80 TP53 (0.56) ALDH1A1TP53SMN1; SMN2LMNAKDM4E
SCHEMBL28480892 0.79 ALDH1A1 (0.77) ALDH1A1TP53SMN1; SMN2LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4015529-A1 G PROTEIN PEPTIDOMIMETICS Vrije Universiteit Brussel (BE) 2022-06-22 EP disclosed
US-7589196-B2 Amine-substituted biphenyldiphosphines SOLVIAS AG (CH) 2009-09-15 US disclosed
EP-2039361-A2 Use of immunomodulatory compounds Eisai R&D Management Co., Ltd. (JP) 2009-03-25 EP disclosed
CN-1900080-A Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD (GB) 2007-01-24 CN disclosed
US-20060276643-A1 Amine-substituted diphenyldiphosphines FAURECIA SYSTEMES D'ECHAPPEMENT (FR) 2006-12-07 US disclosed
CN-1269822-C Inhibitors of kruenza protease and other cysteine proteases AMURA THERAPEUTICS LTD (GB) 2006-08-16 CN disclosed
CN-1486320-A Inhibitors of kruenza protease and other cysteine proteases ��ķ��ҽ�����޹�˾ 2004-03-31 CN 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-20060276643-A1 Amine-substituted diphenyldiphosphines DDC, PNMT, DDT ALDH1A1 389/4885TP53 3945/4885SMN1; SMN2 3238/4885

“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.