SCHEMBL20125698

SCHEMBL20125698

CC(C)CCCCCCSSCC(N)C=O

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31
LMNA P02545 2/20 0.31
GMNN O75496 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30

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
SCHEMBL20125696 0.82 EPHX1 (0.37) TSHRGMNNMAPTSMN1; SMN2
SCHEMBL25247617 0.77 LMNA (0.40) LMNAHIF1AEPAS1
SCHEMBL6130047 0.77 LMNA (0.48) LMNA
SCHEMBL23128780 0.75 LMNA (0.42) TSHRLMNASMN1; SMN2HIF1AEPAS1
SCHEMBL20126769 0.75 NOS2 (0.35) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL17449732 0.74 CYP3A4 (0.32) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL5137869 0.74 CYP3A4 (0.32) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL12851469 0.74 CYP3A4 (0.32) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL21067332 0.74 TSHR (0.31) TSHRSMN1; SMN2
SCHEMBL20126725 0.71 SIGMAR1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3303344-B1 DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES UNIV GRENOBLE ALPES (FR) 2020-09-30 EP disclosed
US-20180127586-A1 DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES UNIVERSITE GRENOBLE ALPES (FR) 2018-05-10 US disclosed
US-20180127586-A1 DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES UNIVERSITE GRENOBLE ALPES (FR) 2018-05-10 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 (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-20180127586-A1 DIHYDROPYRENE DERIVATIVES, PROCESSES FOR PREPARING THE SAME AND THEIR USES DHPS, DPYD, DHODH CYP3A4 29/4885CYP2D6 26/4885TSHR 4819/4885

“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.