SCHEMBL1047440

SCHEMBL1047440

CCC(C)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.56
SLC6A2 P23975 1/20 0.56
LMNA P02545 1/20 0.52
CYP2D6 P10635 1/20 0.52
TP53 P04637 1/20 0.48
TRPA1 O75762 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RIPK1 Q13546 3/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL10284707 0.87 TAAR1 (0.54) TAAR1SLC6A2LMNACYP2D6TP53
SCHEMBL13679208 0.87 SLC6A2 (0.48) TAAR1SLC6A2LMNACYP2D6TP53
SCHEMBL11147321 0.83 SLC6A2 (0.45) TAAR1SLC6A2LMNACYP2D6TP53
SCHEMBL24713157 0.81 SLC6A2 (0.52) TAAR1SLC6A2LMNACYP2D6TP53
SCHEMBL27410576 0.81 SLC6A2 (0.52) TAAR1SLC6A2LMNACYP2D6TP53
SCHEMBL18469309 0.80 SLC6A2 (0.42) TAAR1SLC6A2LMNACYP2D6TP53
SCHEMBL20608245 0.80 ALDH1A1 (0.48) TAAR1SLC6A2LMNACYP2D6TRPA1
SCHEMBL20608244 0.80 ALDH1A1 (0.48) TAAR1SLC6A2LMNACYP2D6TRPA1
SCHEMBL4352224 0.80 SLC6A2 (0.56) TAAR1SLC6A2LMNACYP2D6TP53
SCHEMBL5164402 0.78 SLC6A2 (0.54) TAAR1SLC6A2LMNACYP2D6TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9820963-B2 Composition containing lignan compound as active ingredient for preventing or treating cancer KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2017-11-21 US disclosed
US-20160228402-A1 COMPOSITION CONTAINING LIGNAN COMPOUND AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2016-08-11 US disclosed
EP-2277393-A1 Sucralose-containing composition SAN-EI GEN F.F.I., INC. (JP) 2011-01-26 EP disclosed
US-7662419-B2 Sucralose-containing composition and edible products containing the composition SAN-EI GEN F.F.I., INC (JP) 2010-02-16 US disclosed
CN-101188948-A Lignan-containing compositions ARCHER DANIELS MIDLAND CO (US) 2008-05-28 CN disclosed
US-7029717-B1 Sucralose-containing composition and edible products containing the composition SAN-EI GEN F.F.I., INC. (JP) 2006-04-18 US disclosed
US-20050142271-A1 Sucralose-containing composition and edible products containing the composition SAN-EI GEN F.F.I., INC 2005-06-30 US disclosed
EP-1526833-A1 USE OF LIGNANS FOR PREVENING OR TREATING THE SINGS OF AGEING OF THE SKIN L'OREAL (FR) 2005-05-04 EP disclosed
CN-1146553-C HYDROXYMATAIRESINOL for preventing cancer ��Ī��˹ҩƷ��˾ 2004-04-21 CN disclosed
WO-2004010965-A1 USE OF LIGNANS FOR PREVENING OR TREATING THE SINGS OF AGEING OF THE SKIN L'OREAL (FR) 2004-02-05 WO disclosed
CN-1345315-A HYDROXYMATAIRESINOL for preventing cancer HORMOS NUTRACEUTICAL OY LTD (FI) 2002-04-17 CN disclosed
EP-1177728-A1 SUCRALOSE-CONTAINING COMPOSITION AND EATABLE PRODUCT COMPRISING THE SAME SAN-EI GEN F.F.I., INC. (JP) 2002-02-06 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 (1 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-20160228402-A1 COMPOSITION CONTAINING LIGNAN COMPOUND AS ACTIVE INGREDIENT FOR PREVENTING OR TREATING CANCER LCT, BRCA1, ALOX5 TAAR1 4134/4885SLC6A2 4664/4885LMNA 22/4885

“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.