SCHEMBL436395

SCHEMBL436395

CCCCCCCCCc1c2ccc(Oc3ccc4c(CCCCCCCCC)c3CCO4)c1CCO2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.38
HTR2A P28223 6/20 0.38
HTR2B P41595 3/20 0.38
CYP1A1 P04798 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ALOX5 P09917 1/20 0.33
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 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
SCHEMBL251263 1.00 HTR2C (0.38) HTR2CHTR2AHTR2BCYP1A1MTNR1A
SCHEMBL705701 0.90 HTR2C (0.41) HTR2CHTR2AHTR2BCYP1A1MTNR1A
SCHEMBL436034 0.90 HTR2C (0.41) HTR2CHTR2AHTR2BCYP1A1MTNR1A
SCHEMBL6866823 0.81 TYR (0.42) HTR2CCYP1A1ALOX5
SCHEMBL251633 0.77 HTR2A (0.37) HTR2CHTR2AHTR2BALOX5LTB4R
SCHEMBL7934677 0.77 HTR2A (0.37) HTR2CHTR2AHTR2BALOX5LTB4R
SCHEMBL1525666 0.77 HTR2A (0.37) HTR2CHTR2AHTR2BALOX5LTB4R
SCHEMBL250560 0.77 HTR2A (0.37) HTR2CHTR2AHTR2BALOX5LTB4R
SCHEMBL3262720 0.77 HTR2A (0.37) HTR2CHTR2AHTR2BALOX5LTB4R
SCHEMBL9720820 0.76 HTR2C (0.35) HTR2CHTR2AHTR2BCYP1A1MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663183-B1 SOLID PHARMACEUTICAL DOSAGE FORM COMPRISING RITONAVIR ABBOTT LAB (US) 2011-07-13 EP claimed
EP-2283844-A1 A solid pharmaceutical dosage formulation comprising lopinavir Abbott Laboratories (US) 2011-02-16 EP claimed
US-20110015216-A1 Solid Pharmaceutical Dosage Form ABBOTT LABORATORIES (US) 2011-01-20 US claimed
US-20110008430-A1 Solid Pharmaceutical Dosage Form ABBOTT LABORATORIES (US) 2011-01-13 US claimed
EP-2444070-A1 Tablets Abbott Laboratories (US) 2012-04-25 EP disclosed
US-20120022089-A1 Solid Pharmaceutical Dosage Form ABBOTT LABORATORIES (US) 2012-01-26 US disclosed
EP-2389172-A1 ABUSE RESISTANT MELT EXTRUDED FORMULATION HAVING REDUCED ALCOHOL INTERACTION Abbott Gmbh & Co., Kg (DE) 2011-11-30 EP disclosed
EP-2386293-A1 Process for producing a solid dispersion of an active ingredient Abbott GmbH & Co. KG (DE) 2011-11-16 EP disclosed
EP-1996163-B1 PROCESS FOR PRODUCING A SOLID DISPERSION OF AN ACTIVE INGREDIENT ABBOTT GMBH & CO KG (DE) 2011-11-02 EP disclosed
US-8039353-B2 Semiconductor device and manufacturing method of semiconductor device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2011-10-18 US disclosed
US-8025899-B2 Solid pharmaceutical dosage form ABBOTT LABORATORIES (US) 2011-09-27 US disclosed
US-20110229526-A1 FORMULATIONS OF NONOPIOID AND CONFINED OPIOID ANALGESICS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-22 US disclosed
WO-2011112558-A2 SOLID COMPOSITIONS ABBOTT LABORATORIES (US) 2011-09-15 WO disclosed
EP-1663183-B1 SOLID PHARMACEUTICAL DOSAGE FORM COMPRISING RITONAVIR ABBOTT LAB (US) 2011-07-13 EP disclosed
WO-2011068723-A1 ABUSE RESISTANT MELT EXTRUDED FORMULATION HAVING REDUCED ALCOHOL INTERACTION ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
EP-2283844-A1 A solid pharmaceutical dosage formulation comprising lopinavir Abbott Laboratories (US) 2011-02-16 EP disclosed
US-20110015216-A1 Solid Pharmaceutical Dosage Form ABBOTT LABORATORIES (US) 2011-01-20 US disclosed
US-20110008430-A1 Solid Pharmaceutical Dosage Form ABBOTT LABORATORIES (US) 2011-01-13 US disclosed
US-20100021540-A1 Tablets and Preparation Thereof ABBOTT LABORATORIES (US) 2010-01-28 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-20100021540-A1 Tablets and Preparation Thereof GRN, EXOSC9, ALG3 HTR2C 3793/4885HTR2A 2438/4885HTR2B 2516/4885
US-20110229526-A1 FORMULATIONS OF NONOPIOID AND CONFINED OPIOID ANALGESICS OPRK1, OPRL1, SIGMAR1 HTR2C 68/4885HTR2A 89/4885HTR2B 106/4885

“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.