SCHEMBL5286604

SCHEMBL5286604

O=C(O)c1ccc2c(c1)COCC2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA9 Q16790 2/20 0.46
SRD5A2 P31213 5/20 0.45
SRD5A1 P18405 4/20 0.45
KDM4E B2RXH2 4/20 0.44
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 2/20 0.44
BLM P54132 1/20 0.44
GRM1 Q13255 1/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
PIR O00625 1/20 0.41
KDM1A O60341 2/20 0.40

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
SCHEMBL30539307 1.00 ALDH1A1 (0.59) ALDH1A1CA12CA1CA2CA4
SCHEMBL21818960 0.93 ALDH1A1 (0.59) ALDH1A1CA12CA1CA2CA4
SCHEMBL24159171 0.86 TSHR (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL17327561 0.85 ALDH1A1 (0.62) ALDH1A1CA12CA1CA2CA4
SCHEMBL29516904 0.85 ALDH1A1 (0.62) ALDH1A1CA12CA1CA2CA4
SCHEMBL28554091 0.84 PIR (0.41) ALDH1A1CA12CA1CA2CA4
SCHEMBL29976900 0.80 GSK3B (0.45) ALDH1A1MAPTTDP1PIR
SCHEMBL28548610 0.80 CA12 (0.45) ALDH1A1CA12CA1CA2CA9
SCHEMBL7867810 0.79 TSHR (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30041840 0.79 TSHR (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4029868-B1 MCL-1 INHIBITORS GILEAD SCIENCES INC (US) 2026-05-20 EP disclosed
EP-3856179-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-05-13 EP disclosed
US-12577243-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2026-03-17 US disclosed
EP-3856178-B1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2026-03-11 EP disclosed
US-20240327410-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2024-10-03 US disclosed
CN-113164459-B Monoacylglycerol lipase modulators 詹森药业有限公司 2024-09-03 CN disclosed
US-11993601-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV 2024-05-28 US disclosed
CN-117304130-A MCL-1 inhibitors 吉利德科学公司 2023-12-29 CN disclosed
US-11820766-B2 Monoacylglycerol lipase modulators JANSSEN PHARMACEUTICA NV (BE) 2023-11-21 US disclosed
US-20230312490-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2023-10-05 US disclosed
WO-2020150626-A1 IMIDAZO[1,2-A]PYRIDINYL DERIVATIVES AS IRAK4 INHIBITORS BIOGEN MA INC. (US) 2020-07-23 WO disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-20200102303-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 US disclosed
EP-1807410-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI Limited (GB) 2007-07-18 EP disclosed
WO-2006046071-A1 COMPOUNDS AND COMPOSITIONS USEFUL IN THE TREATMENT OF NEOPLASIA NIPRI LIMITED (GB) 2006-05-04 WO disclosed
US-5364876-A Tranquilizers, analgesics, learning enhancement GUILFORD PHARMACEUTICALS INC. (US) 1994-11-15 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 (9 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 ALDH1A1 1991/4885CA12 4642/4885CA1 4407/4885
US-20230312490-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 ALDH1A1 1991/4885CA12 4642/4885CA1 4407/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 ALDH1A1 1991/4885CA12 4642/4885CA1 4407/4885
US-12577243-B2 Monoacylglycerol lipase modulators MGLL, LPL, FAAH ALDH1A1 587/4885CA12 3802/4885CA1 2762/4885
US-20200102303-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 312/4885CA12 4341/4885CA1 4396/4885
US-11993601-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 344/4885CA12 4334/4885CA1 4510/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 344/4885CA12 4334/4885CA1 4510/4885
US-20240327410-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP ALDH1A1 344/4885CA12 4334/4885CA1 4510/4885
US-11820766-B2 Monoacylglycerol lipase modulators MGLL, LPL, PNLIP ALDH1A1 312/4885CA12 4341/4885CA1 4396/4885

“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.