SCHEMBL4031356

SCHEMBL4031356

CCOC(=O)CC(=O)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 1/20 0.61
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MAPT P10636 2/20 0.54
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
HDAC1 Q13547 1/20 0.49
LMNA P02545 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
POLB P06746 1/20 0.46
BCL2L1 Q07817 1/20 0.45
MCL1 Q07820 1/20 0.45

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
SCHEMBL7755640 0.87 ALDH1A1 (0.53) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL11822677 0.87 ALDH1A1 (0.53) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL11567237 0.87 HAO1 (0.66) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL17259217 0.86 HAO1 (0.66) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL11829139 0.86 ALDH1A1 (0.51) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL4485834 0.85 ALDH1A1 (0.47) HAO1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL4937649 0.85 ALDH1A1 (0.47) HAO1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL7049040 0.84 ALDH1A1 (0.62) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL7049036 0.84 ALDH1A1 (0.62) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8
SCHEMBL1789154 0.82 ALDH1A1 (0.63) HAO1ALDH1A1SMN1; SMN2MAPTHDAC8

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
US-20230002396-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2023-01-05 US disclosed
EP-4065230-A1 THERAPEUTIC COMPOUNDS Genentech, Inc. (US) 2022-10-05 EP disclosed
CN-114786778-A Therapeutic compounds 基因泰克公司 2022-07-22 CN disclosed
WO-2021108483-A1 THERAPEUTIC COMPOUNDS GENENTECH, INC. (US) 2021-06-03 WO disclosed
EP-1339690-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2009-01-21 EP disclosed
US-7348340-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2008-03-25 US disclosed
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2007-06-07 US disclosed
US-7189714-B2 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2007-03-13 US disclosed
EP-1339706-B1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2006-04-19 EP disclosed
US-20040053964-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-03-18 US disclosed
US-20040053965-A1 N-type calcium channel antagonists for the treatment of pain ASTRAZENECA AB (SE) 2004-03-18 US disclosed
EP-1339706-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
EP-1339688-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
EP-1339690-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
EP-1339689-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2003-09-03 EP disclosed
WO-2002036568-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed
WO-2002036567-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed
WO-2002036569-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO disclosed
WO-2002036586-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2002-05-10 WO 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 (4 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-20040053964-A1 N-type calcium channel antagonists for the treatment of pain CACNA1E, CACNA1B, CACNA1A HAO1 2920/4885ALDH1A1 2325/4885SMN1; SMN2 609/4885
US-20040053965-A1 N-type calcium channel antagonists for the treatment of pain CACNA1B, CACNA1E, CACNA1A HAO1 3256/4885ALDH1A1 2904/4885SMN1; SMN2 242/4885
US-20070129363-A1 N-TYPE CALCIUM CHANNEL ANTAGONISTS FOR THE TREATMENT OF PAIN CACNA1B, CACNA1E, CACNA1G HAO1 3472/4885ALDH1A1 3919/4885SMN1; SMN2 480/4885
US-20230002396-A1 THERAPEUTIC COMPOUNDS YAP1, YES1, TEAD2 HAO1 4211/4885ALDH1A1 3527/4885SMN1; SMN2 1111/4885

“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.