SCHEMBL6864202

SCHEMBL6864202

OCC1CSC(c2ccc(-c3ccccc3)cc2)S1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.36
MAOB P27338 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
TAAR1 Q96RJ0 2/20 0.33
MMP9 P14780 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MECP2 P51608 1/20 0.33
MBD2 Q9UBB5 1/20 0.33
FFAR1 O14842 1/20 0.33
CYP2D6 P10635 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32

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
SCHEMBL6862816 0.90 SLC18A3 (0.34) KDM1ARAB9ANPC1MMP9GABRP
SCHEMBL6864599 0.83 MMP9 (0.47) KDM1AMMP9MMP3
SCHEMBL6862850 0.80 MAPT (0.36) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL6860853 0.80 MAPT (0.35) KDM1AMAOBTAAR1SMN1; SMN2GABRP
SCHEMBL28748700 0.79 ALDH1A1 (0.35) BCL2L1
SCHEMBL6863029 0.78 HTR2C (0.38) KDM1ACYP2D6KDM4E
SCHEMBL5209723 0.78 HTR2C (0.32)
SCHEMBL5213356 0.78 ALDH1A1 (0.30)
SCHEMBL5204843 0.77 GABRP (0.31) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6861068 0.76 SLC5A2 (0.38) GABRPGABRDGABRA1GABRB1GABRG2

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
US-6794471-B2 OF A HYDROXYHYDROCARBYL- OR MERCAPTOHYDROCARBYL- DITHIOLANE; CURED OPTICAL ARTICLE FORMED BY PHOTOPOLYMERIZING THE ACRYLATE MITSUI CHEMICALS, INC. (JP) 2004-09-21 US disclosed
EP-1193264-B1 Acrylic ester compound and usage thereof MITSUI CHEMICALS INC (JP) 2004-03-31 EP disclosed
US-20020061995-A1 Acrylic ester compound and usage thereof MITSUI CHEMICALS, INC. (JP) 2002-05-23 US disclosed
EP-1193264-A1 Acrylic ester compound and usage thereof Mitsui Chemicals, Inc. (JP) 2002-04-03 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-20020061995-A1 Acrylic ester compound and usage thereof ASS1, HAT1, EIF2B1 KDM1A 205/4885MAOB 2733/4885RAB9A 3074/4885

“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.