SCHEMBL172861

SCHEMBL172861

COC(=O)CCCOc1cccc(C)c1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.66
HPGD P15428 2/20 0.61
LMNA P02545 2/20 0.60
GAA P10253 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
MAPT P10636 2/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
POLB P06746 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54

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
SCHEMBL8279653 0.95 KMT2A (0.61) SMN1; SMN2HPGDLMNAGAAL3MBTL1
SCHEMBL12908000 0.92 SMN1; SMN2 (0.59) SMN1; SMN2HPGDLMNAGAAL3MBTL1
SCHEMBL10054169 0.86 L3MBTL1 (0.62) SMN1; SMN2HPGDLMNAGAAL3MBTL1
SCHEMBL7291202 0.86 MTNR1A (0.61) SMN1; SMN2LMNAGAAL3MBTL1KMT2A
SCHEMBL17534257 0.84 CNR1 (0.56) SMN1; SMN2MAPTCYP3A4DRD2DRD4
SCHEMBL13523837 0.84 SMN1; SMN2 (0.65) SMN1; SMN2HPGDLMNAGAAL3MBTL1
SCHEMBL6850974 0.84 SMN1; SMN2 (0.65) SMN1; SMN2HPGDLMNAGAAL3MBTL1
SCHEMBL826321 0.84 SMN1; SMN2 (0.65) SMN1; SMN2HPGDLMNAGAAL3MBTL1
SCHEMBL12879322 0.84 SMN1; SMN2 (0.65) SMN1; SMN2HPGDLMNAGAAL3MBTL1
SCHEMBL13986556 0.84 SMN1; SMN2 (0.58) SMN1; SMN2HPGDLMNAGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357921-A2 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY Sunesis Pharmaceuticals, Inc. (US) 2018-08-08 EP disclosed
EP-3080103-B1 BIARYL COMPOUNDS USEFUL FOR THE TREATMENT OF HUMAN DISEASES IN ONCOLOGY, NEUROLOGY AND IMMUNOLOGY BIOGEN MA INC (US) 2018-04-18 EP disclosed
EP-1979331-B1 TRISUBSTITUTED AMINE COMPOUNDS AS INHIBITORS OF -CHOLESTERYL ESTER TRANSFER PROTEIN CETP MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-07 EP disclosed
EP-1885695-B1 INDOLINE COMPOUNDS FOURNIER LAB SA (FR) 2009-02-25 EP disclosed
US-7465811-B2 Indoline compounds LABORATOIRES FOURNIER S.A. (FR) 2008-12-16 US disclosed
US-20080119465-A1 Novel Indoline Compounds LABORATORIES FOURNIER S.A. (FR) 2008-05-22 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-20080119465-A1 Novel Indoline Compounds GPR119, INSR, IRS1 SMN1; SMN2 2595/4885HPGD 3316/4885LMNA 1943/4885

“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.