SCHEMBL6916282

SCHEMBL6916282

C(=C/c1ccccc1)\CSc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.59
NPC1 O15118 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
TDP1 Q9NUW8 1/20 0.59
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
IDO1 P14902 2/20 0.45
PAM P19021 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CASP3 P42574 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SENP8 Q96LD8 1/20 0.43

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
SCHEMBL6916286 1.00 RAB9A (0.59) RAB9ANPC1L3MBTL1TDP1MAPK1
SCHEMBL28427855 0.87 RAB9A (0.51) RAB9ANPC1L3MBTL1TDP1MAPK1
SCHEMBL29149650 0.87 RAB9A (0.51) RAB9ANPC1L3MBTL1TDP1MAPK1
SCHEMBL11020808 0.86 RAB9A (0.46) RAB9ANPC1L3MBTL1TDP1MAPK1
SCHEMBL418239 0.84 ALDH1A1 (0.57) RAB9ANPC1L3MBTL1TDP1MAPK1
SCHEMBL418238 0.84 ALDH1A1 (0.57) RAB9ANPC1L3MBTL1TDP1MAPK1
SCHEMBL387863 0.79 RAB9A (0.55) RAB9ANPC1L3MBTL1TDP1IDO1
SCHEMBL387862 0.79 RAB9A (0.55) RAB9ANPC1L3MBTL1TDP1IDO1
SCHEMBL13138358 0.79 RAB9A (0.47) RAB9ANPC1L3MBTL1TDP1IDO1
SCHEMBL3930541 0.77 ALDH1A1 (0.50) RAB9ANPC1L3MBTL1TDP1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES NIH-DEITR 2010-09-02 US disclosed
US-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES NIH-DEITR 2010-09-02 US disclosed
WO-2008134058-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-11-06 WO disclosed
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 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-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES TST, SCLY, AP2S1 RAB9A 3547/4885NPC1 4042/4885L3MBTL1 2551/4885

“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.