SCHEMBL18917474

SCHEMBL18917474

Cc1cc(=O)oc2cc(OC(=O)Cl)ccc12

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.76
KDM4E B2RXH2 8/20 0.76
GAA P10253 7/20 0.76
GLA P06280 5/20 0.76
HPGD P15428 5/20 0.69
HSD17B10 Q99714 4/20 0.69
KMT2A Q03164 6/20 0.69
MAPT P10636 3/20 0.67
NPBWR1 P48145 1/20 0.67
F2 P00734 1/20 0.64
TP53 P04637 1/20 0.64
ALDH2 P05091 1/20 0.60
AR P10275 3/20 0.59
CA2 P00918 1/20 0.58
STS P08842 1/20 0.58
IGLV6-57 P01721 1/20 0.56
LMNA P02545 2/20 0.56
CA12 O43570 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56

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
SCHEMBL335474 0.87 KDM4E (1.00) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL29651337 0.87 KDM4E (1.00) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL7917973 0.86 ALDH1A1 (0.69) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL1459402 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL2534958 0.83 ALDH1A1 (0.82) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL31120325 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL27788739 0.83 ALDH1A1 (0.77) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL12986854 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL10867007 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL29843007 0.83 ALDH1A1 (0.72) ALDH1A1KDM4EGAAGLAHPGD

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398966-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2024-12-05 US disclosed
EP-3160517-B1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE LYON (FR) 2024-06-12 EP disclosed
US-11998610-B2 Conjugates and methods of using the same FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2024-06-04 US disclosed
US-11584752-B2 Method for controlled release using mechanical force CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2023-02-21 US disclosed
US-20220033372-A1 METHODS AND COMPOSITIONS RELATING TO GENOTOXIN COLIBACTIN PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-02-03 US disclosed
CN-106470977-B Water-soluble activatable molecular probe, synthetic intermediate thereof and related detection method 里昂高等师范学院 2021-07-09 CN disclosed
EP-3836971-A1 CONJUGATES AND METHODS OF USING THE SAME Flagship Pioneering Innovations V, Inc. (US) 2021-06-23 EP disclosed
US-11040951-B2 Methods and compositions relating to genotoxin colibactin PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-22 US disclosed
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-06-03 US disclosed
WO-2020037009-A1 CONJUGATES AND METHODS OF USING THE SAME FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-02-20 WO disclosed
US-20200055836-A1 METHODS AND COMPOSITIONS RELATING TO GENOTOXIN COLIBACTIN PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2020-02-20 US disclosed
US-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods ECOLE NORMALE SUPERIEURE DE LYON (FR) 2019-01-15 US disclosed
US-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods ECOLE NORMALE SUPERIEURE DE LYON (FR) 2019-01-15 US disclosed
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-08 US disclosed
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-08 US disclosed
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS ECOLE NORMALE SUPERIEURE DE LYON (FR) 2017-06-08 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-10179929-B2 Water-soluble activatable molecular probes, intermediates for the synthesis thereof and associated detection methods SI, GUSB, ABCG2 ALDH1A1 426/4885KDM4E 4802/4885GAA 69/4885
US-11998610-B2 Conjugates and methods of using the same CD47, CD44, CD74 ALDH1A1 774/4885KDM4E 4256/4885GAA 197/4885
US-20170159100-A1 WATER-SOLUBLE ACTIVATABLE MOLECULAR PROBES, INTERMEDIATES FOR THE SYNTHESIS THEREOF AND ASSOCIATED DETECTION METHODS SI, GUSB, ABCG2 ALDH1A1 426/4885KDM4E 4802/4885GAA 69/4885
US-20220033372-A1 METHODS AND COMPOSITIONS RELATING TO GENOTOXIN COLIBACTIN CACYBP, MYCBP, CLSPN ALDH1A1 4352/4885KDM4E 4738/4885GAA 2133/4885
US-11584752-B2 Method for controlled release using mechanical force DYNLL2, PARP12, RUVBL2 ALDH1A1 2079/4885KDM4E 3001/4885GAA 4343/4885
US-20210162057-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 ALDH1A1 774/4885KDM4E 4256/4885GAA 197/4885
US-20200055836-A1 METHODS AND COMPOSITIONS RELATING TO GENOTOXIN COLIBACTIN CACYBP, MYCBP, CLSPN ALDH1A1 4352/4885KDM4E 4738/4885GAA 2133/4885
US-11040951-B2 Methods and compositions relating to genotoxin colibactin CACYBP, MYCBP, CLSPN ALDH1A1 4352/4885KDM4E 4738/4885GAA 2133/4885
US-20240398966-A1 CONJUGATES AND METHODS OF USING THE SAME CD47, CD44, CD74 ALDH1A1 774/4885KDM4E 4256/4885GAA 197/4885

“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.