SCHEMBL3119964

SCHEMBL3119964

OC(CN=C=S)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
MIF P14174 8/20 0.45
TRPA1 O75762 2/20 0.45
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
AOC3 Q16853 4/20 0.42
CYP2E1 P05181 1/20 0.42
CYP2A6 P11509 1/20 0.42
HIF1A Q16665 1/20 0.42
CYP2A13 Q16696 1/20 0.42
EPAS1 Q99814 1/20 0.42
RIPK1 Q13546 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL25332409 1.00 LMNA (0.47) LMNAMIFTRPA1KDM4EL3MBTL1
SCHEMBL17050916 0.82 MIF (0.66) LMNAMIFTRPA1KDM4EALDH1A1
SCHEMBL1247579 0.81 MIF (0.50) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL22444495 0.80 LMNA (0.47) LMNAKDM4EL3MBTL1ALDH1A1AOC3
SCHEMBL8763999 0.79 MIF (0.48) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL17050920 0.79 SMN1; SMN2 (0.46) LMNAMIFL3MBTL1
SCHEMBL25332915 0.77 MIF (0.53) MIFL3MBTL1ALDH1A1AOC3
SCHEMBL4699559 0.76 MIF (0.68) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL331343 0.74 MIF (0.65) MIFTRPA1ALDH1A1CYP3A4HPGD
SCHEMBL6956846 0.73 MIF (0.53) LMNAMIFTRPA1ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2163238-A2 Compound for lightening skin tone comprising sulforaphane or sulforaphene or their derivates Henkel AG & Co. KGaA (DE) 2010-03-17 EP claimed
US-20250066293-A1 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2025-02-27 US disclosed
WO-2023133494-A2 OIL-BASED ISOTHIOCYANATE PRODUCTS AND PROCESSES FOR PREPARING OIL-BASED ISOTHIOCYANATE PRODUCTS BRASSICA PROTECTION PRODUCTS LLC (US) 2023-07-13 WO disclosed
US-9586907-B2 Isothiocyanate compounds, pharmaceutical compositions, and uses thereof RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-03-07 US disclosed
US-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2015-09-03 US disclosed
EP-2163238-A2 Compound for lightening skin tone comprising sulforaphane or sulforaphene or their derivates Henkel AG & Co. KGaA (DE) 2010-03-17 EP disclosed
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2009-11-26 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 (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-20150246887-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 LMNA 3813/4885MIF 545/4885TRPA1 93/4885
US-20090291989-A1 ISOTHIOCYANATE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF TST, TREH, NFATC1 LMNA 3813/4885MIF 545/4885TRPA1 93/4885

“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.