SCHEMBL1706376

SCHEMBL1706376

CC(=O)c1cccc(CC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
AKR1B1 P15121 1/20 0.54
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR1H4 Q96RI1 1/20 0.50
AGBL2 Q5U5Z8 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPSE Q9Y251 1/20 0.49
LMNA P02545 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FOLH1 Q04609 1/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.47

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
SCHEMBL13802500 0.90 GRIN2D (0.52) MAOBAKR1B1NR1H4
SCHEMBL4962122 0.86 MAOB (0.51) MAOBCYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL13513257 0.86 MAOB (0.51) MAOBCYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL29674815 0.86 MAOB (0.57) MAOBAGBL2ALDH1A1LMNAMEN1
SCHEMBL18844155 0.85 AKR1B1 (0.50) AKR1B1CYP1A2CYP2C19NR1H4AGBL2
SCHEMBL29382329 0.84 FOLH1 (0.66) AKR1B1FOLH1
SCHEMBL2707508 0.84 FOLH1 (0.66) AKR1B1FOLH1
SCHEMBL19202273 0.84 AKR1B1 (0.58) AKR1B1CYP1A2CYP2C19AGBL2HPSE
SCHEMBL7735116 0.83 MAOB (0.49) MAOBCYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL4558230 0.83 MAOB (0.49) MAOBCYP1A2CYP2C19ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213511-A1 Calicheamicin Conjugation by Antibody Deglycosylation WYETH (US) 2007-09-13 US claimed
US-20070190060-A1 Passive targeting of cytotoxic agents WYETH (US) 2007-08-16 US claimed
CN-1997398-A Passive targeting of cytotoxic agents WYETH CORP (US) 2007-07-11 CN claimed
EP-1725264-A2 ANTIBODY CALICHEAMICIN CONJUGATES FOR PASSIVE TARGETING Wyeth (US) 2006-11-29 EP claimed
EP-1725265-A2 CALICHEAMICIN CONJUGATES BY ANTIBODY DEGLYCOSYLATION Wyeth (US) 2006-11-29 EP claimed
WO-2005089807-A2 ANTIBODY CALICHEAMICIN CONJUGATES FOR PASSIVE TARGETING WYETH (US) 2005-09-29 WO claimed
WO-2005089809-A2 CALICHEAMICIN CONJUGATION BY ANTIBODY DEGLYCOSYLATION WYETH (US) 2005-09-29 WO claimed
US-20240374748-A1 TUMOR-SPECIFIC PAYLOAD DELIVERY AND IMMUNE ACTIVATION USING A HUMAN ANTIBODY TARGETING A HIGHLY SPECIFIC TUMOR CELL SURFACE ANTIGEN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-11-14 US disclosed
US-20240307561-A1 RADIOLABELED PARP INHIBITOR CONJUGATES FOR CANCER TREATMENT DUKE UNIVERSITY (US) 2024-09-19 US disclosed
EP-3383920-B1 TUMOR-SPECIFIC PAYLOAD DELIVERY AND IMMUNE ACTIVATION USING A HUMAN ANTIBODY TARGETING A HIGHLY SPECIFIC TUMOR CELL SURFACE ANTIGEN UNIV CALIFORNIA (US) 2024-01-10 EP disclosed
WO-2023278592-A1 RADIOLABELED PARP INHIBITOR CONJUGATES FOR CANCER TREATMENT DUKE UNIVERSITY (US) 2023-01-05 WO disclosed
US-20210236650-A1 TUMOR-SPECIFIC PAYLOAD DELIVERY AND IMMUNE ACTIVATION USING A HUMAN ANTIBODY TARGETING A HIGHLY SPECIFIC TUMOR CELL SURFACE ANTIGEN UNIV CALIFORNIA (US) 2021-08-05 US disclosed
US-20210100838-A1 HUMAN ANTIBODIES THAT BIND AND ARE INTERNALIZED BY MESOTHELIOMA AND OTHER CANCER CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-04-08 US disclosed
WO-2005089809-A3 CALICHEAMICIN CONJUGATION BY ANTIBODY DEGLYCOSYLATION WYETH CORP (US) 2006-05-04 WO disclosed
WO-2005089807-A2 ANTIBODY CALICHEAMICIN CONJUGATES FOR PASSIVE TARGETING WYETH (US) 2005-09-29 WO disclosed
WO-2005089807-A2 ANTIBODY CALICHEAMICIN CONJUGATES FOR PASSIVE TARGETING WYETH (US) 2005-09-29 WO disclosed
WO-2005089809-A2 CALICHEAMICIN CONJUGATION BY ANTIBODY DEGLYCOSYLATION WYETH (US) 2005-09-29 WO disclosed
WO-2005089809-A2 CALICHEAMICIN CONJUGATION BY ANTIBODY DEGLYCOSYLATION WYETH (US) 2005-09-29 WO disclosed
EP-1274696-A1 OXIME DERIVATIVES FOR CONTROLLING UNDESIRED MICROORGANISMS AND ANIMAL PESTS Bayer CropScience AG (DE) 2003-01-15 EP disclosed
WO-2001072726-A1 OXIME DERIVATIVES FOR CONTROLLING UNDESIRED MICROORGANISMS AND ANIMAL PESTS BAYER AKTIENGESELLSCHAFT (DE) 2001-10-04 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 (6 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-20210100838-A1 HUMAN ANTIBODIES THAT BIND AND ARE INTERNALIZED BY MESOTHELIOMA AND OTHER CANCER CELLS CD14, EPCAM, CD47 MAOB 4664/4885AKR1B1 3866/4885CYP1A2 4847/4885
US-20070190060-A1 Passive targeting of cytotoxic agents CD22, CD63, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 MAOB 3083/4885AKR1B1 1515/4885CYP1A2 2828/4885
US-20070213511-A1 Calicheamicin Conjugation by Antibody Deglycosylation CD22, ST3GAL3, CD2 MAOB 2812/4885AKR1B1 3074/4885CYP1A2 3456/4885
US-20240307561-A1 RADIOLABELED PARP INHIBITOR CONJUGATES FOR CANCER TREATMENT PARP1, PARP2, PARP3 MAOB 2412/4885AKR1B1 756/4885CYP1A2 1790/4885
US-20210236650-A1 TUMOR-SPECIFIC PAYLOAD DELIVERY AND IMMUNE ACTIVATION USING A HUMAN ANTIBODY TARGETING A HIGHLY SPECIFIC TUMOR CELL SURFACE ANTIGEN ALPP, HLA-A, ALPI MAOB 4495/4885AKR1B1 2224/4885CYP1A2 3292/4885
US-20240374748-A1 TUMOR-SPECIFIC PAYLOAD DELIVERY AND IMMUNE ACTIVATION USING A HUMAN ANTIBODY TARGETING A HIGHLY SPECIFIC TUMOR CELL SURFACE ANTIGEN ALPP, HLA-A, ALPI MAOB 4495/4885AKR1B1 2224/4885CYP1A2 3292/4885

“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.