SCHEMBL169915

SCHEMBL169915

[CH2]c1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
KDM4E B2RXH2 3/20 0.68
KMT2A Q03164 1/20 0.68
HSD17B3 P37058 7/20 0.64
CA12 O43570 7/20 0.64
CA9 Q16790 7/20 0.64
AKR1B1 P15121 3/20 0.64
MAOB P27338 2/20 0.64
LMNA P02545 2/20 0.64
HSD17B10 Q99714 2/20 0.64
GAA P10253 2/20 0.64
CYP1A2 P05177 1/20 0.64
GLA P06280 1/20 0.64
CYP2C9 P11712 1/20 0.64
HPGD P15428 1/20 0.64
UGT1A1 P22309 1/20 0.64
CASP1 P29466 1/20 0.64
KDR P35968 1/20 0.64
CASP7 P55210 1/20 0.64
MCL1 Q07820 1/20 0.64

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
SCHEMBL29419327 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL14424515 0.81 CA12 (0.75) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL958685 0.81 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AHSD17B3CA12
Water SCHEMBL11848480 0.79 ALDH1A1 (0.96) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL8333261 0.79 ALDH1A1 (0.70) ALDH1A1KDM4EKMT2AHSD17B3CA12
Hymecromone SCHEMBL27728511 0.79 HSD17B3 (0.93) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL3549905 0.78 KDM4E (0.68) ALDH1A1KDM4EKMT2AHSD17B3CA12
Hymecromone SCHEMBL2357040 0.78 HSD17B3 (1.00) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL10790823 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHSD17B3CA12
SCHEMBL10793869 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EKMT2AHSD17B3CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109593084-B Prolyl hydroxylase small-molecule photosensitive prodrug and preparation method and application thereof 中国药科大学 2021-09-28 CN claimed
EP-1073764-A4 MEMBRANE-PERMEANT PHOSPHOINOSITIDES UNIV CALIFORNIA (US) 2001-11-14 EP claimed
EP-1073764-A1 MEMBRANE-PERMEANT PHOSPHOINOSITIDES The Regents of the University of California (US) 2001-02-07 EP claimed
WO-1999055903-A1 MEMBRANE-PERMEANT PHOSPHOINOSITIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-04 WO claimed
US-5955453-A Membrane-permeant phosphoinositides THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-09-21 US claimed
US-20230346943-A1 SPACER-MEDIATED CONTROL OF UNCAGING PHOTOCAGED MOLECULES THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-02 US disclosed
WO-2023049826-A1 GENETICALLY ENCODED VOLTAGE INDICATORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-03-30 WO disclosed
US-20220411790-A1 A CRISPR-CAS9 PLATFORM WITH AN INTRINSIC OFF-SWITCH AND ENHANCED SPECIFICITY THE JOHNS HOPKINS UNIVERSITY 2022-12-29 US disclosed
US-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-07-14 US disclosed
US-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates NORTHEASTERN UNIVERSITY (US) 2021-09-28 US disclosed
WO-2021150621-A1 SPACER-MEDIATED CONTROL OF UNCAGING PHOTOCAGED MOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-07-29 WO disclosed
WO-2021081468-A1 A CRISPR-CAS9 PLATFORM WITH AN INTRINSIC OFF-SWITCH AND ENHANCED SPECIFICITY THE JOHNS HOKINS UNIVERSITY (US) 2021-04-29 WO disclosed
EP-1565578-A2 RNAI-BASED SENSORS, CAGED INTERFERING RNAS, AND METHODS OF USE THEREOF Genospectra, Inc. (US) 2005-08-24 EP disclosed
US-20050059028-A1 RNAi-based sensors, caged interfering RNAs, and methods of use thereof GENOSPECTRA, INC. 2005-03-17 US disclosed
US-20040166553-A1 Caged sensors, regulators and compounds and uses thereof GENOSPECTRA, INC. 2004-08-26 US disclosed
WO-2004045547-A2 RNAI-BASED SENSORS, CAGED INTERFERING RNAS, AND METHODS OF USE THEREOF GENOSPECTRA, INC. (US) 2004-06-03 WO disclosed
WO-2004046339-A2 CAGED SENSORS, REGULATORS AND COMPOUNDS AND USES THEREOF GENOSPECTRA, INC. (US) 2004-06-03 WO disclosed
EP-1073764-A4 MEMBRANE-PERMEANT PHOSPHOINOSITIDES UNIV CALIFORNIA (US) 2001-11-14 EP disclosed
EP-1073764-A1 MEMBRANE-PERMEANT PHOSPHOINOSITIDES The Regents of the University of California (US) 2001-02-07 EP disclosed
WO-1999055903-A1 MEMBRANE-PERMEANT PHOSPHOINOSITIDES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-11-04 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 (3 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-20220218661-A1 COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION CBR3, C1R, CBR1 ALDH1A1 1613/4885KDM4E 3701/4885KMT2A 1898/4885
US-20230346943-A1 SPACER-MEDIATED CONTROL OF UNCAGING PHOTOCAGED MOLECULES DCLRE1A, PCNA, HMBS ALDH1A1 1218/4885KDM4E 2886/4885KMT2A 1225/4885
US-11129790-B2 Chemo-enzymatic site-specific modification of peptides and proteins to form cleavable conjugates GLUL, QPCT, DNPEP ALDH1A1 3701/4885KDM4E 2129/4885KMT2A 857/4885

“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.