SCHEMBL788314

SCHEMBL788314

[CH2]c1ccc(O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
NR1H3 Q13133 1/20 0.46
TYR P14679 1/20 0.45
AKR1B1 P15121 1/20 0.43
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NQO2 P16083 1/20 0.36

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
SCHEMBL12096099 1.00 CA12 (0.50) CA12CA9NR1H3TYRAKR1B1
SCHEMBL4287064 0.85 TYR (0.62) CA12CA9NR1H3TYRAKR1B1
SCHEMBL1491881 0.85 CA12 (0.51) CA12CA9NR1H3TYRAKR1B1
SCHEMBL4293129 0.85 TYR (0.62) CA12CA9NR1H3TYRAKR1B1
SCHEMBL4298856 0.85 TYR (0.62) CA12CA9NR1H3TYRAKR1B1
SCHEMBL15196950 0.85 CA12 (0.54) CA12CA9NR1H3TYRAKR1B1
SCHEMBL10103003 0.85 CA12 (0.54) CA12CA9NR1H3TYRAKR1B1
SCHEMBL1491947 0.85 CA12 (0.51) CA12CA9NR1H3TYRAKR1B1
SCHEMBL4289259 0.85 TYR (0.62) CA12CA9NR1H3TYRAKR1B1
SCHEMBL16021494 0.83 CA12 (0.50) CA12CA9NR1H3TYRAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313377-B1 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2015-01-21 EP claimed
EP-2616442-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP claimed
WO-2012037204-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO claimed
US-20240115626-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2024-04-11 US disclosed
US-11801273-B2 Compositions and methods to increase production of isothiocyanates CHURCH & DWIGHT CO., INC. (US) 2023-10-31 US disclosed
US-20220193152-A1 COMPOSITIONS AND METHODS TO INCREASE PRODUCTION OF ISOTHIOCYANATES CHURCH & DWIGHT CO., INC. (US) 2022-06-23 US disclosed
WO-2021255464-A1 NUTRACEUTICAL COMPOSITION HAHN NORMAN (GB) 2021-12-23 WO disclosed
US-11026984-B2 Use of isothiocyanate derivatives as modulators of peripheral and neuropathic pain INDENA S.P.A. (IT) 2021-06-08 US disclosed
EP-3280407-B1 USE OF ISOTHIOCYANATE DERIVATIVES AS MODULATORS OF PERIPHERAL AND NEUROPATHIC PAIN INDENA SPA (IT) 2020-08-12 EP disclosed
US-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS KONSTANTOPOULOS KONSTANTINOS (US) 2019-02-14 US disclosed
US-20180104293-A1 USE OF ISOTHIOCYANATE DERIVATIVES AS MODULATORS OF PERIPHERAL AND NEUROPATHIC PAIN INDENA S.P.A. (IT) 2018-04-19 US disclosed
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS JOHNS HOPKINS UNIVERSITY 2010-01-21 US disclosed
US-7402569-B2 Treatment of Helicobacter with isothiocyanates BRASSICA FOUNDATION FOR CHEMOPROTECTION RESEARCH, INC. (US) 2008-07-22 US disclosed
US-20080131578-A1 FOOD OR DRINK PRODUCTS, SUPPLEMENTS OR ADDITIVES PRODUCED FROM HIGH GLUCORAPHANIN-CONTAINING BROCCOLI VARIETY 'HOPKINS' Caudill Seed and Warehouse Company, Inc. 2008-06-05 US disclosed
WO-2006065736-A2 METHOD OF EXTRACTION OF ISOTHIOCYANATES INTO OIL FROM GLUCOSINOLSATE-CONTAINING PLANTS JOHNS HOPKINS UNIVERSITY (US) 2006-06-22 WO disclosed
US-20040180843-A1 Treatment of helicobacter with isothocyanates BRASSICA FOUNDATION FOR CHEMOPROTECTION RESEARCH, INC. 2004-09-16 US disclosed
US-6737441-B2 PREVENTING OR TREATING PERSISTENT CHRONIC GASTRITIS, ULCERS AND/OR STOMACH CANCER Fahey, Jed W. 2004-05-18 US disclosed
EP-1313377-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES Fahey, Jed W. (US) 2003-05-28 EP disclosed
US-20020151505-A1 Treatment of helicobacter with isothiocyanates FAHEY, JED W. 2002-10-17 US disclosed
WO-2002015722-A2 TREATMENT OF HELICOBACTER WITH ISOTHIOCYANATES FAHEY JED W (US) 2002-02-28 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 (2 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-20190046530-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION, APOPTOSIS AND STRESS PTGS2, PTGES2, CCAR2 CA12 4281/4885CA9 4327/4885NR1H3 496/4885
US-20100015085-A1 PHASE 2 INDUCERS AND RELATED SIGNALING PATHWAYS PROTECT CARTILAGE AGAINST INFLAMMATION/INFECTION, APOPTOSIS AND STRESS PTGES2, PTGS2, PPARG CA12 4133/4885CA9 4382/4885NR1H3 466/4885

“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.