SCHEMBL2149738

SCHEMBL2149738

COC(=O)c1ccc(OCCCOc2ccc(C(=O)OC)cc2OC)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
PRSS1 P07477 4/20 0.62
KMT2A Q03164 3/20 0.59
CYP1A2 P05177 3/20 0.58
CYP2C9 P11712 3/20 0.58
CYP2C19 P33261 3/20 0.58
HSP90AA1 P07900 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
CYP3A4 P08684 2/20 0.58
HTT P42858 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MGLL Q99685 1/20 0.56
TSHR P16473 3/20 0.55
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
MAPK1 P28482 1/20 0.54
MEN1 O00255 1/20 0.54
SMPD1 P17405 2/20 0.52

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
SCHEMBL5767014 0.95 MAPT (0.64) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL17149979 0.93 KMT2A (0.63) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL5216700 0.92 MGLL (0.62) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL1011130 0.92 MAPT (0.60) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL15595698 0.92 MAPT (0.60) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL787576 0.91 MAPT (0.59) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL14930505 0.91 SMPD1 (0.65) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL9798517 0.91 MAPT (0.59) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL4376688 0.91 MAPT (0.59) MAPTPRSS1KMT2ACYP1A2CYP2C9
SCHEMBL4375986 0.91 MAPT (0.59) MAPTPRSS1KMT2ACYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-10 US disclosed
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-10 US disclosed
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 US disclosed
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 US disclosed
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates MEDIMMUNE LIMITED (GB) 2023-07-04 US disclosed
US-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates MEDIMMUNE LIMITED (GB) 2023-07-04 US disclosed
US-20230143309-A1 PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES MEDIMMUNE LIMITED (GB) 2023-05-11 US disclosed
US-11517626-B2 Pyrrolobenzodiazepine antibody conjugates MEDIMMUNE LIMITED (GB) 2022-12-06 US disclosed
US-20210187117-A1 PYRROLOBENZODIAZEPINE CONJUGATES MEDIMMUNE LIMITED (GB) 2021-06-24 US disclosed
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2021-05-13 US disclosed
US-8367824-B2 Reacting anthranilic acid with formic acid compound in presence of a catalyst and solvent UBE INDUSTRIES LTD. (JP) 2013-02-05 US disclosed
EP-1675857-B1 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO US GOV HEALTH & HUMAN SERV (US) 2011-07-13 EP disclosed
US-7834005-B2 Pyrrolobenzodiazepine derivatives, compositions comprising the same and methods related thereto THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-16 US disclosed
WO-2010043877-A1 PYRROLOBENZODIAZEPINES SPIROGEN LIMITED (GB) 2010-04-22 WO disclosed
EP-1477481-B1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE UBE INDUSTRIES (JP) 2009-07-22 EP disclosed
US-20090149449-A1 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICE (US) 2009-06-11 US disclosed
US-7511032-B2 Pyrrolobenzodiazepine derivatives, compositions comprising the same and methods related thereto THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-03-31 US disclosed
US-20070072846-A1 Pyrrolobenzodiazepine derivatives, compositions comprising the same and methods related thereto SPIROGEN SARL (CH) 2007-03-29 US disclosed
US-20050080262-A1 Process for producing quinazolin-4-one derivative UBE INDUSTRIES, LTD. (JP) 2005-04-14 US disclosed
EP-1477481-A1 PROCESS FOR PRODUCING QUINAZOLIN-4-ONE DERIVATIVE Ube Industries, Ltd. (JP) 2004-11-17 EP 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 (10 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-11690918-B2 Pyrrolobenzodiazepine-anti-CD22 antibody conjugates CD22, CD2, CD2BP2 MAPT 1953/4885PRSS1 1302/4885KMT2A 427/4885
US-11779650-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD4, IL2 MAPT 1007/4885PRSS1 3836/4885KMT2A 1422/4885
US-20090149449-A1 PYRROLOBENZODIAZEPINE DERIVATIVES, COMPOSITIONS COMPRISING THE SAME AND METHODS RELATED THERETO CCNB1, NPY1R, CCNO MAPT 3915/4885PRSS1 2528/4885KMT2A 3188/4885
US-20210137940-A1 PYRROLOBENZODIAZEPINE-ANTI-PSMA ANTIBODY CONJUGATES PSMA2, PSMA7, FOLH1 MAPT 514/4885PRSS1 2006/4885KMT2A 1144/4885
US-20050080262-A1 Process for producing quinazolin-4-one derivative NQO2, SDHA, CYP3A4 MAPT 4602/4885PRSS1 1196/4885KMT2A 1507/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 MAPT 575/4885PRSS1 3670/4885KMT2A 628/4885
US-20070072846-A1 Pyrrolobenzodiazepine derivatives, compositions comprising the same and methods related thereto IPO7, RAB7A, GRB7 MAPT 4508/4885PRSS1 2883/4885KMT2A 3756/4885
US-20230143309-A1 PYRROLOBENZODIAZEPINE ANTIBODY CONJUGATES CD79B, H1-10, DRD1 MAPT 831/4885PRSS1 4344/4885KMT2A 1344/4885
US-11517626-B2 Pyrrolobenzodiazepine antibody conjugates CD79B, DRD1, H1-10 MAPT 1115/4885PRSS1 4034/4885KMT2A 1456/4885
US-20210187117-A1 PYRROLOBENZODIAZEPINE CONJUGATES H1-10, DRD1, DRD2 MAPT 933/4885PRSS1 4398/4885KMT2A 1203/4885

“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.