SCHEMBL7455134

SCHEMBL7455134

c1csc(-c2ccc(-c3ccc(-c4cccs4)cc3)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.67
KCNH2 Q12809 2/20 0.58
CYP17A1 P05093 1/20 0.57
CYP11B1 P15538 1/20 0.57
CYP11B2 P19099 1/20 0.57
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP2E1 P05181 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
LPL P06858 1/20 0.52
LIPG Q9Y5X9 1/20 0.52

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
SCHEMBL338810 0.97 LTA4H (0.70) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL7058736 0.92 LTA4H (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL559934 0.92 LTA4H (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL1464252 0.91
SCHEMBL27709556 0.88 CYP3A4 (0.60) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL15274500 0.88 ALDH1A1 (0.58) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL19219074 0.88 CYP17A1 (0.69) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL7454111 0.88 LTA4H (0.55) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL20662905 0.88 ALDH1A1 (0.58) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL1990593 0.88 MAPT (0.59) LTA4HKCNH2CYP17A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114656654-B Modified lignin self-repairing conductive hydrogel and preparation method and application thereof 江苏理工学院 2023-07-11 CN disclosed
US-20020114973-A1 Molecular compound, luminous material using the same, and luminous element JAPAN CHEMICAL INNOVATION INSTITUTE (JP) 2002-08-22 US disclosed
US-6436558-B1 SUBSTRATE HAVING PROVIDED THEREON AN ANODE FOR INJECTING HOLES, A CATHODE FOR INJECTING ELECTRONS, AND AT LEAST ONE ORGANIC COMPOUND LAYER THEREBETWEEN, WHEREIN THE ORGANIC COMPOUND LAYER CONTAINS AT LEAST ONE COMPOUND REPRESENTED BY FUJI PHOTO FILM CO., LTD. 2002-08-20 US disclosed
US-6355365-B1 FOR USE IN ORGANIC ELECTRO LUMINESCENCE (EL) DEVICE; EFFICIENCY JAPAN CHEMICAL INNOVATION INSTITUTE (JP) 2002-03-12 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-20020114973-A1 Molecular compound, luminous material using the same, and luminous element TYR, BRD4, NOTCH1 LTA4H 653/4885KCNH2 1159/4885CYP17A1 4061/4885

“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.