SCHEMBL1452645

SCHEMBL1452645

C1=CC(CC2=Cc3ccccc3C2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.49
HTR6 P50406 1/20 0.49
HTR2A P28223 6/20 0.40
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
DRD3 P35462 2/20 0.40
HTR2B P41595 2/20 0.40
ADRA2A P08913 1/20 0.34
PREP P48147 1/20 0.33
HTR2C P28335 2/20 0.32
HRH1 P35367 2/20 0.32
DRD2 P14416 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
SIGMAR1 Q99720 2/20 0.31

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
SCHEMBL30901170 1.00 ACHE (0.49) ACHEHTR6HTR2AHTR1AHTR7
SCHEMBL30901165 1.00 ACHE (0.49) ACHEHTR6HTR2AHTR1AHTR7
Lithium SCHEMBL31213150 0.98 ACHE (0.48) ACHEHTR6HTR2AHTR1AHTR7
Hydrochloric Acid SCHEMBL30901171 0.97 ACHE (0.47) ACHEHTR6HTR2AHTR1AHTR7
Hydrochloric Acid SCHEMBL29262850 0.97 ACHE (0.47) ACHEHTR6HTR2AHTR1AHTR7
SCHEMBL29262847 0.94 ACHE (0.45) ACHEHTR6HTR2AHTR1AHTR7
SCHEMBL1453298 0.88 HTR2A (0.42) ACHEHTR6HTR2AHTR1AHTR7
SCHEMBL29262834 0.83 HTR1A (0.39) ACHEHTR6HTR2AHTR1AHTR7
SCHEMBL1453601 0.74 HTR6 (0.40) ACHEHTR6DRD2
SCHEMBL29262843 0.74 ACHE (0.51) ACHEHTR2AHTR1AHTR7DRD3

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
CN-118221849-A Application of metallocene catalyst composition as catalyst in preparation of poly alpha olefin wax 亚培烯科技(上海)有限公司 2024-06-21 CN disclosed
US-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 ACHE 3416/4885HTR6 3192/4885HTR2A 4085/4885

“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.