SCHEMBL2806972

SCHEMBL2806972

O=C(CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)NCCCCCCCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
HDAC6 Q9UBN7 8/20 0.43
HDAC1 Q13547 6/20 0.42
HDAC2 Q92769 6/20 0.42
HDAC8 Q9BY41 6/20 0.42
HDAC3 O15379 5/20 0.42
HDAC4 P56524 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.42
KIF11 P52732 5/20 0.41
TRPV1 Q8NER1 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
SCHEMBL23299715 0.88 LMNA (0.52) L3MBTL1HDAC6HDAC1HDAC2HDAC8
SCHEMBL99144 0.86 HDAC6 (0.50) HDAC6HDAC1HDAC2HDAC8HDAC3
SCHEMBL19903787 0.85 HPGD (0.52) L3MBTL1TSHRHPGDKIF11
SCHEMBL9978090 0.84 LMNA (0.48) L3MBTL1HDAC6HDAC1HDAC2HDAC8
SCHEMBL6909931 0.83 L3MBTL1 (0.46) L3MBTL1HDAC6HDAC1HDAC2HDAC8
SCHEMBL23299724 0.82 KIF11 (0.47) L3MBTL1LMNAHPGDKIF11
SCHEMBL18704720 0.82 KIF11 (0.56) KIF11
SCHEMBL23299714 0.81 HDAC6 (0.41) L3MBTL1HDAC6HDAC1HDAC2HDAC8
SCHEMBL4139067 0.81 SMN1; SMN2 (0.43) LMNAHPGDKIF11
SCHEMBL3158110 0.80 HDAC3 (0.46) L3MBTL1HDAC6HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475685-B2 Particle and near-field optical waveguide KABUSHIKI KAISHA TOSHIBA (JP) 2013-07-02 US disclosed
US-20100239219-A1 PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2010-09-23 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-20100239219-A1 PARTICLE AND NEAR-FIELD OPTICAL WAVEGUIDE F2, AHR, CRY1 L3MBTL1 2946/4885HDAC6 4144/4885HDAC1 1572/4885

“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.