SCHEMBL6574818

SCHEMBL6574818

S=COc1ccccc1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.38
GRM4 Q14833 3/20 0.37
LY96 Q9Y6Y9 1/20 0.36
LMNA P02545 5/20 0.33
RAB9A P51151 4/20 0.33
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 2/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MAPT P10636 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 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
SCHEMBL1191551 0.76 GRM4 (0.41) HTR7GRM4LY96LMNARAB9A
SCHEMBL5487486 0.76 HTR7 (0.38) HTR7GRM4LY96LMNARAB9A
SCHEMBL1223374 0.76 HTR7 (0.42) HTR7GRM4LY96LMNARAB9A
SCHEMBL5102376 0.74 FFAR1 (0.38)
SCHEMBL28595842 0.73 HTR7 (0.40) HTR7GRM4LY96LMNARAB9A
SCHEMBL29152933 0.71 SMN1; SMN2 (0.42) LMNARAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL28465083 0.71 CA2 (0.50) LMNARAB9AKMT2ASMN1; SMN2HPGD
SCHEMBL10747442 0.71 ALDH1A1 (0.31) SMN1; SMN2HPGDALDH1A1HTT
SCHEMBL2730818 0.71 HTR7 (0.39) HTR7GRM4LMNARAB9AKMT2A
SCHEMBL22131083 0.71 HTR7 (0.45) HTR7GRM4LMNARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117486662-A Method for synthesizing sulfoxide compound by heterogeneous catalysis 成都理工大学 2024-02-02 CN claimed
CN-117486662-A Method for synthesizing sulfoxide compound by heterogeneous catalysis 成都理工大学 2024-02-02 CN disclosed
EP-2994444-B1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE SASOL TECH PTY LTD (ZA) 2023-04-12 EP disclosed
US-9533922-B2 Oligomerisation of ethylene to mixtures of 1-hexene and 1-octene SASOL TECHNOLOGY (PROPRIETARY) LIMITED (ZA) 2017-01-03 US disclosed
US-20160083311-A1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE SASOL TECHNOLOGY (PROPRIETARY LIMITED) (ZA) 2016-03-24 US disclosed
EP-2994444-A1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE Sasol Technology (Proprietary) Limited (ZA) 2016-03-16 EP disclosed
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO 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-20160083311-A1 OLIGOMERISATION OF ETHYLENE TO MIXTURES OF 1-HEXENE AND 1-OCTENE LIG1, LIG4, PPIP5K2 HTR7 1537/4885GRM4 2156/4885LY96 4462/4885

“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.