SCHEMBL577446

SCHEMBL577446

C1=C(CCC2=Cc3ccccc3C2)Cc2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.57
HTR2A P28223 2/20 0.57
HTR7 P34969 2/20 0.57
DRD3 P35462 2/20 0.57
HTR2B P41595 2/20 0.57
ACHE P22303 1/20 0.51
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
DRD2 P14416 1/20 0.41
HTR2C P28335 1/20 0.41
HRH1 P35367 1/20 0.41
CYP11B2 P19099 2/20 0.39
CYP11B1 P15538 1/20 0.39
PTGS2 P35354 1/20 0.39
PREP P48147 1/20 0.38
TRPA1 O75762 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
ADRA2A P08913 1/20 0.37

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
SCHEMBL737837 0.91 HTR1A (0.54) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL3689438 0.89 HTR1A (0.53) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL7566441 0.89 HTR1A (0.53) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL11767791 0.87 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL3696559 0.87 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1539753 0.87 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL20359652 0.87 HTR1A (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL1451967 0.86 ACHE (0.51) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL29922720 0.84 HTR1A (0.49) HTR1AHTR2AHTR7DRD3HTR2B
SCHEMBL7195698 0.84 HTR1A (0.49) HTR1AHTR2AHTR7DRD3HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120095273-A1 ALPHA-OLEFIN OLIGOMER AND METHOD FOR PRODUCING SAME IDEMITSU KOSAN CO., LTD. (JP) 2012-04-19 US disclosed
EP-2418228-A1 A-OLEFIN OLOGIMER AND METHOD FOR PRODUCING SAME Idemitsu Kosan Co., Ltd. (JP) 2012-02-15 EP disclosed
US-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
US-6673880-B2 ETHYLENE (CO)POLYMERS HAVING LOW MOLECULAR WEIGHTS AND NARROW MOLECULAR WEIGHT DISTRIBUTIONS BASELL TECHNOLOGY COMPANY B.V. (NL) 2004-01-06 US disclosed
EP-1059299-B1 Process for the polymerisation of olefins in the presence of indenyl compounds SABIC POLYPROPYLENES BV (NL) 2003-12-17 EP disclosed
EP-0942011-B1 Multi-stage process for the polymerization of olefins BASELL POLIOLEFINE SPA (IT) 2003-05-14 EP disclosed
EP-0849273-B1 Metallocenes, their preparation and use in the polymerization of alpha-olefins POLIMERI EUROPA SPA (IT) 2003-05-02 EP disclosed
EP-0941997-B1 Bridged zirconocene compounds, process for their preparation, and their use as catalyst components in the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2002-12-18 EP disclosed
US-6479609-B1 Multi-stage process for the polymerization of olefins BASELL TECHNOLOGY COMPANY BV (NL) 2002-11-12 US disclosed
US-20020039962-A1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymerization of olefins MONTELL TECHNOLOGY COMPANY B.V. 2002-04-04 US disclosed
US-6342622-B1 COMPOUNDS HAVING BRIDGING GROUP CONTAINING AT LEAST ONE SP2-HYBRIDISED CARBON ATOM BONDED TO INDENYL GROUP AT 2-POSITION ARE MORE ACTIVE AND/OR GIVE POLYMERS WITH HIGHER MOLECULAR WEIGHT DSM B.V. (NL) 2002-01-29 US disclosed
US-6306791-B2 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymerization of olefins BASELL TECHNOLOGY COMPANY BV (NL) 2001-10-23 US disclosed
US-20010014751-A1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymeriaztion of olefins MONTELL TECHNOLOGY COMPANY B.V. 2001-08-16 US disclosed
US-6262195-B1 POLYMERIZING ETHYLENE OPTIONALLY WITH ALPHA-OLEFIN IN PRESENCE OF TITANIUM OR VANADIUM COMPOUND CATALYST; CONTACTING PRODUCT WITH COMPOUND TO DEACTIVATE CATALYST, ZIRCOCENE CATALYST AND COCATALYST TO FURTHER POLYMERIZE MONTELL TECHNOLOGY COMPANY BV (NL) 2001-07-17 US disclosed
US-6232484-B1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymerization of olefins MONTELL TECHNOLOGY B.V. (NL) 2001-05-15 US disclosed
EP-1059300-A1 Indenyl compounds for the polymerisation of olefins DSM N.V. (NL) 2000-12-13 EP disclosed
EP-1059299-A1 Indenyl compounds for the polymerisation of olefins DSM N.V. (NL) 2000-12-13 EP disclosed
EP-0941997-A2 Bridged zirconocene compounds, process for their preparation, and their use as catalyst components in the polymerization of olefins Montell Technology Company bv (NL) 1999-09-15 EP disclosed
EP-0942011-A1 Multi-stage process for the polymerization of olefins Montell Technology Company bv (NL) 1999-09-15 EP 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 (4 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 HTR1A 3242/4885HTR2A 4085/4885HTR7 3598/4885
US-20020039962-A1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymerization of olefins ZRANB2, ZKSCAN2, ZCCHC8 HTR1A 4039/4885HTR2A 3338/4885HTR7 3497/4885
US-20120095273-A1 ALPHA-OLEFIN OLIGOMER AND METHOD FOR PRODUCING SAME OSBP, OXER1, OSBPL8 HTR1A 3318/4885HTR2A 3733/4885HTR7 2036/4885
US-20010014751-A1 Bridged zirconocene compounds, process for their preparation and their use as catalyst components in the polymeriaztion of olefins ZRANB2, ZKSCAN2, ZNF787 HTR1A 3826/4885HTR2A 2539/4885HTR7 2436/4885

“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.