SCHEMBL17367245

SCHEMBL17367245

COC(=O)c1ccccc1-c1csc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.48
SLC6A4 P31645 3/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
SLC6A2 P23975 1/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.44

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
SCHEMBL22386493 0.84 KDM4E (0.46) SLC6A3SLC6A4HDAC3HDAC4HDAC1
SCHEMBL71339 0.82 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL30701688 0.81 HDAC3 (0.60) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5072166 0.80 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL18539206 0.80 SLC6A3 (0.59) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL69464 0.80 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL27984156 0.79 CNR2 (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13356585 0.77 CNR2 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL13896000 0.77 MAPT (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4068766 0.77 HSD17B10 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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
US-10749118-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-08-18 US disclosed
US-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-31 US disclosed
US-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-12-31 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 (2 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-20150380663-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CYP1A1, CRY1, CYP1B1 SLC6A3 4418/4885SLC6A4 4558/4885HDAC3 2619/4885
US-10749118-B2 Heterocyclic compound and organic light-emitting device including the same CYP1A1, CRY1, CYP1B1 SLC6A3 4418/4885SLC6A4 4558/4885HDAC3 2619/4885

“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.