SCHEMBL17367221

SCHEMBL17367221

COC(=O)c1ccccc1-c1cc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 5/20 0.55
SLC6A4 P31645 3/20 0.55
SLC6A2 P23975 1/20 0.55
BCL2L1 Q07817 1/20 0.45
TNFRSF1A P19438 4/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 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
SCHEMBL22386489 0.87 SLC6A3 (0.48) SLC6A3SLC6A4SLC6A2BCL2L1TNFRSF1A
SCHEMBL28791212 0.85 PDGFRB (0.47) SLC6A3SLC6A4SLC6A2ALDH1A1MEN1
SCHEMBL20298727 0.85 APP (0.48) SLC6A3SLC6A4SLC6A2BCL2L1TNFRSF1A
SCHEMBL13302174 0.85 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2BCL2L1TNFRSF1A
SCHEMBL17799582 0.81 CA12 (0.58) BCL2L1ALDH1A1APPHDAC3HDAC4
SCHEMBL20298760 0.81 SLC6A3 (0.44) SLC6A3BCL2L1TNFRSF1ALMNAALDH1A1
SCHEMBL14216534 0.80 ALDH1A1 (0.46) SLC6A3SLC6A4SLC6A2TNFRSF1ALMNA
SCHEMBL24899509 0.80 SLC6A3 (0.45) SLC6A3SLC6A4SLC6A2BCL2L1LMNA
SCHEMBL17010932 0.78 SLC6A3 (0.54) SLC6A3SLC6A4SLC6A2LMNATSHR
SCHEMBL22000121 0.77 HDAC2 (0.54) SLC6A3TNFRSF1AALDH1A1MEN1GAA

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 4558/4885SLC6A2 4301/4885
US-10749118-B2 Heterocyclic compound and organic light-emitting device including the same CYP1A1, CRY1, CYP1B1 SLC6A3 4418/4885SLC6A4 4558/4885SLC6A2 4301/4885

“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.