SCHEMBL17830823

SCHEMBL17830823

OBOC1=Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
PTGS2 P35354 2/20 0.38
CYP11B2 P19099 2/20 0.34
CYP11B1 P15538 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
TRPA1 O75762 1/20 0.32
ACHE P22303 1/20 0.32
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
HTR7 P34969 1/20 0.30
DRD3 P35462 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL7178730 0.84 PTGS2 (0.40) MAOAMAOBPTGS2CYP11B2CYP11B1
SCHEMBL8031056 0.74 PTGS2 (0.53) MAOAMAOBPTGS2CYP11B2CYP11B1
SCHEMBL6907494 0.74 PTGS2 (0.41) MAOAMAOBPTGS2CYP11B2CYP11B1
SCHEMBL1067728 0.72 MAOA (0.50) MAOAMAOBPTGS2CYP11B2CYP11B1
SCHEMBL29049090 0.72 CD69 (0.53) MAOAMAOBMTNR1AMTNR1B
SCHEMBL4442002 0.70 MAOA (0.45) MAOAMAOBPTGS2GPR84MTNR1A
SCHEMBL30586108 0.70 GPR84 (0.45) MAOAMAOBPTGS2CYP11B2CYP11B1
SCHEMBL16434673 0.69 MAOA (0.43) MAOAMAOBPTGS2CYP11B2CYP11B1
SCHEMBL7423243 0.69 PTGS2 (0.41) MAOAMAOBPTGS2CYP11B2CYP11B1
SCHEMBL19979197 0.69 PTGS2 (0.41) MAOAMAOBPTGS2CYP11B2CYP11B1

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-9868797-B2 Bridged metallocene complex for olefin polymerization SAUDI BASIC INDUSTRIES CORPORATION (SA) 2018-01-16 US disclosed
US-9828447-B2 Process for the preparation of 2,2′-bis-indenyl biphenyl ligands and their metallocene complexes SAUDI BASIC INDUSTRIES CORPORATION (SA) 2017-11-28 US disclosed
US-20160194414-A1 PROCESS FOR THE PREPARATION OF 2,2'-BIS-INDENYL BIPHENYL LIGANDS AND THEIR METALLOCENE COMPLEXES SAUDI BASIC INDUSTRIES CORPORATION (SA) 2016-07-07 US disclosed
US-20160168280-A1 BRIDGED METALLOCENE COMPLEX FOR OLEFIN POLYMERIZATION SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2016-06-16 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-20160194414-A1 PROCESS FOR THE PREPARATION OF 2,2'-BIS-INDENYL BIPHENYL LIGANDS AND THEIR METALLOCENE COMPLEXES CYP1B1, PCBP1, IGF2BP3 MAOA 1265/4885MAOB 461/4885PTGS2 2094/4885
US-20160168280-A1 BRIDGED METALLOCENE COMPLEX FOR OLEFIN POLYMERIZATION ZYX, PYM1, OPRM1 MAOA 1975/4885MAOB 1774/4885PTGS2 2519/4885

“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.